Tag: M.W:200-300

Rehder, Dieter; Gailus, Hartmut; Schmidt, Hauke published the article 《Dichloro(tetrahydrofuran-O)[tris(1-pyrazolyl-N2)borato]vanadium(III)》. Keywords: mol structure vanadium chloro THF pyrazolylborato; vanadium chloro THF pyrazolylborato preparation crystal structure.They researched the compound: Potassiumtris(1-pyrazolyl)borohydride( cas:18583-60-3 ).Synthetic Route of C9H10BKN6. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:18583-60-3) here.

The title compound is an analog of the unknown η5-CpVCl2 (Cp = cyclopentadienyl). The compound was prepared from VCl3(THF)3 and K[HB(pz)3], pz = pyrazolyl. Crystals are monoclinic, space group P21/n, with a 8.553(4), b 12.860(5), c 15.530(7) Å, and β 104.08(4)°; Z = 4, dc = 1.632; R = 0.057, Rw(F2) = 0.151 for 3819 reflections. The mol. adopts a structure comparable to the piano-stool arrangement of a half-sandwich complex.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called New organic sulfur vesicants. II. Analogues of 2,2′-dichlorodiethyl sulfide and 2,2′-di(2-chloroethylthio)diethyl ether, published in 1948, which mentions a compound: 3400-55-3, Name is 2-Bromopriopionaldehydediethylacetal, Molecular C7H15BrO2, HPLC of Formula: 3400-55-3.

MeCH.CH2.O (680 g.), introduced at the rate of 0.7 cc./min., and H2S (throughput 45 l./h.) at 60° give 948 g. of product which yields 488 g. 2-hydroxy-1-propanethiol, b8 44.5-5°, n18D 1.4850, and 390 g. 2,2′-dihydroxydipropyl sulfide (I), b4 125°. ClCH2CHMeOH (b. 126-8°) and Na2S in EtOH, refluxed 10 min., give I. I (50 g.) in 200 cc. CHCl3, treated dropwise with 62 cc. SOCl2 and refluxed 30 min., gives bis(2-chloropropyl) sulfide, b10 105°, m. -40°. EtCHO (58 g.) in 300 cc. AcOEt at -5°, treated dropwise (3 h.) with 45 g. Br in 100 cc. AcOEt, and the mixture poured into 500 cc. absolute EtOH and kept 18 h. at room temperature, give CHMeBrCH(OEt)2, b13 67°; reaction with HSC2H4OH in EtONa-EtOH (refluxing 25 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde di-Et acetal, b0.5 87°; hydrolysis of 40 g. with 200 cc. 3% HCl (24 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde, an oil, reduction of which with (iso-PrO)3Al gives 2-hydroxyethyl 2-hydroxyisopropyl sulfide, b5 136-7°; SOCl2 yields 2-chloroethyl 2-chloroisopropyl sulfide, b7 88°, b12 105°, m. -24.5° (sulfilimine, m. 132°). S(CH2CH2SCH2CH2OH)2 (II) (C.A. 16, 409) and SOCl2 in CHCl3 (refluxed 30 min.) give 2,2′-bis(2-chloroethylmercapto)diethyl sulfide (III), m. 73-5° (chloroplatinate, mustard color, m. 136°; piperidide picrate, m. 180° (decomposition)). The Cl atom of III is removed by AgNO3 in boiling EtOH in 5 min. and by boiling H2O in 45 min. The following ethers were prepared from III and the appropriate phenol in EtOH-EtONa: diphenoxy, m. 59°; di-2-naphthoxy, m. 122°; bis(sym-tribromophenoxy), m. 107°; dieugenoxy, m. 86°; bis(phenylmercapto), m. 92-4°. III and NaI in MeOH, refluxed 10 min., give the bis(2-iodoethyl) analog, m. 102-3°; bis(2-thiocyanatoethyl) analog, m. 52°; the bis(2-cyanoethyl) analog could not be prepared, the reaction yielding (NCCH2CH2)2S and dithiane. II and PBr3 in CHCl3, refluxed 2 h., give the bis(2-bromoethyl) analog, b3.5 158-63.5° [bis(1-naphthylurethane), m. 150-2°]. (ClCH2CH2)2S2 b5 132-4° [bis(sym-tribromophenoxy) analog, m. 76°; dieugenoxy analog, m. 97°]. III in AcOH, treated with 6 mols. 30% H2O2 (1 h.) gives 2,2′-bis(2-chloroethylsulfonyl)diethyl sulfone, m. 174.5°; 2,2′-bis(2-hydroxyethylmercapto)diethyl sulfoxide, m. 57°; the sulfone m. 85-6°; the disulfide m. 79-81°; 2,2′-bis(2-chloroethylmercapto)diethyl sulfoxide, m. 63°; the sulfone m. 107-9°; 2,2′-bis(2-hydroxypropylmercapto)diethyl sulfide, m. 59°; di-2-Cl analog, m. 43.5°; 2,3-bis(2-hydroxyethylmercapto)-1,4-dioxane, oily [bis(1-naphthylurethane), m. 152°]; 2,3-bis(2-chloroethylmercapto)-1,4,-dioxane, b15 138-41°. 2-Hydroxyethyl 2-hydroxypropyl sulfide, b8 154°; 2-chloroethyl 2-chloropropyl sulfide, b4 88°, m. -23°. 2,2′-Bis(2-hydroxypropylmercapto)diethyl ether, b5 217-18°; di-2-Cl analog, b0.02 95-8°. 2,2′-Bis(2-hydroxyethymercapto)dipropyl sulfide, b1.5 240°; di-2-Cl analog. 2,2′-Bis(2-hydroxypropylmercapto)dipropyl sulfide, b0.5 210°; di-2-Cl analog, b0.02 108-9° (slight decomposition). If mustard gas is assigned an empirical vesicant power of 100, these compounds show values of 10 to 50.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

SDS of cas: 16004-15-2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Efficient radiosynthesis and preclinical evaluation of [18F]FOMPyD as a positron emission tomography tracer candidate for TrkB/C receptor imaging. Author is Singleton, Thomas A.; Bdair, Hussein; Bailey, Justin J.; Choi, Sangho; Aliaga, Arturo; Rosa-Neto, Pedro; Schirrmacher, Ralf; Bernard-Gauthier, Vadim; Kostikov, Alexey.

Herein we report an efficient radiolabeling of a 18F-fluorinated derivative of dual inhibitor GW2580, with its subsequent evaluation as a positron emission tomog. (PET) tracer candidate for imaging of two neuroreceptor targets implicated in the pathophysiol. of neurodegeneration: tropomyosin receptor kinases (TrkB/C) and colony stimulating factor receptor (CSF-1R). [18F]FOMPyD was synthesized from a boronic acid pinacolate precursor via copper-mediated 18F-fluorination concerted with thermal deprotection of the four Boc groups on a diaminopyrimidine moiety in an 8.7±2.8% radiochem. yield, a radiochem. purity >99%, and an effective molar activity of 187±93 GBq/μmol. [18F]FOMPyD showed moderate brain permeability in wild-type rats (SUVmax = 0.75) and a slow washout rate. The brain uptake was partially reduced (ΔAUC40-90 = 11.6%) by administration of the nonradioactive FOMPyD (up to 30 μg/kg). In autoradiog., [18F]FOMPyD exhibits ubiquitous distribution in rat and human brain tissues with relatively high nonspecific binding revealed by self-blocking experiment The binding was blocked by TrkB/C inhibitors, but not with a CSF-1R inhibitor, suggesting selective binding to the former receptor. Although an unfavorable pharmacokinetic profile will likely preclude application of [18F]FOMPyD as a PET tracer for brain imaging, the concomitant one-pot copper-mediated 18F-fluorination/Boc-deprotection is a practical technique for the automated radiosynthesis of acid-sensitive PET tracers.

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Piperazine – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Potassiumtris(1-pyrazolyl)borohydride( cas:18583-60-3 ) is researched.HPLC of Formula: 18583-60-3.Canty, Allan J.; Fritsche, Steven D.; Jin, Hong; Patel, Jim; Skelton, Brian W.; White, Allan H. published the article 《Water and Protic Acids as Oxidants for Platinum(II): Diorgano(hydrido)platinum(IV) and Diorgano(hydroxo)platinum(IV) Chemistry, Including Structural Studies of Poly(pyrazol-1-yl)borate Complexes Pt(OH)R2{(pz)3BH} (R = Methyl, p-Tolyl) and Pt(OH)Me2{(pz)4B}·H2O》 about this compound( cas:18583-60-3 ) in Organometallics. Keywords: crystal structure platinum hydroxo pyrazolylborato organo; mol structure platinum hydroxo pyrazolylborato organo; water oxidation platinum aryl Me pyrazolylborato; oxidative addition platinum aryl Me pyrazolylborato; hydrido platinum pyrazolylborato organo preparation decomposition; platinum organo pyrazolylborato preparation structure oxidation; hydroxo platinum organo pyrazolylborato preparation structure; arene reductive elimination platinum aryl hydrido. Let’s learn more about this compound (cas:18583-60-3).

The tris(pyrazol-1-yl)borate complexes K[PtR2{(pz)3BH}] (R = Me (1), p-tolyl (2)) may be isolated on addition of K[(pz)3BH] to solutions of [PtR2(SEt2)]2. Complexes 1, 2, and [PtMe2{(pz)4B}]- react with HOAc to form PtHR2{(pz)3BH} (R = Me (3), p-tolyl (5)) and PtHMe2{(pz)4B} (4). The hydridoplatinum(IV) complexes decompose at ∼140 (3) and ∼85 (4)° in toluene-d8 and ∼90° (5) in nitrobenzene-d5 to form methane (3, 4) and toluene (5), where isolation of 5 provided the 1st opportunity to study the decomposition of aryl(hydrido)platinum(IV) complexes. The hydridoplatinum(IV) complexes are deprotonated on addition of aqueous NaOH in acetone-d6 to form 1, 2, and [PtMe2{(pz)4B}]-. The hydroxoplatinum(IV) complexes Pt(OH)R2{(pz)3BH} (R = Me (6), p-tolyl (8)) or Pt(OH)Me2{(pz)4B}·H2O (7) may be readily isolated in 45-82% yield upon oxidation of the Pt(II) anions 1, 2, or [PtMe2{(pz)4B}]- by H2O. The hydridoplatinum(IV) complexes 3-5 also react slowly with H2O in acetone-d6 to form H2 and complexes 6-8. [PtR2{(pz)3BH}]- undergo oxidative-addition reactions with iodomethane to form PtMeR2{(pz)3BH} (R = Me, p-tolyl). The octahedral hydroxoplatinum(IV) complexes 6-8 are the 1st examples of Pt(IV) complexes formed on oxidation by H2O to be characterized by x-ray crystallog. The complexes display Pt-O distances of 1.974(8)-1.996(6) Å, and the Pt-N bond distances reflect the relative trans influences of the hydroxo and Me groups. The aqua group in Pt(OH)Me2{(pz)4B}·H2O (7) is H bonded to the hydroxoplatinum(IV) group to form a centrosym. dimer, such that it is not possible to ascertain whether the coordination environment of Pt is [Pt(OH)···H2O]2 or [Pt(OH2)+···OH-]2, although the former is believed to be more likely.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called New mode of ion size discrimination for Group 2 metals using poly(pyrazolyl)borate ligands. Control of stability and structure of chelate complexes by intraligand contact, published in 1993-05-19, which mentions a compound: 18583-60-3, Name is Potassiumtris(1-pyrazolyl)borohydride, Molecular C9H10BKN6, Safety of Potassiumtris(1-pyrazolyl)borohydride.

Selectivity of [HnB(pz)4-n]- (n = 0-2; pz = pyrazolyl ring) for Group 2 metal ions was studied by liquid-liquid extraction The dominant extracted species is [HnB(pz)4-4n]2M. Bidentate [H2B(pz)2]- is a weak extracting reagent for Be2+ and Mg2+. Hydrotris(pyrazolyl)borate extracts Be2+, Mg2+, and Ca2+ effectively, and Sr2+ to some extent. Although [B(pz)4]-, a potentially tridentate ligand similar to [HB(pz)3]-, extracts Be2+ and Mg2+, the extractability for Ca2+ drops drastically. The different selectivity of these ligands cannot be explained from basicity of the donor atoms. To explore the origin of the selectivity, x-ray crystal structures of the extracted species were determined Complexes of [HB(pz)3]2Mg (1), [HB(pz)3]2Ca (2), and [B(pz)4]2Mg(3) have distorted octahedral geometries with each ligand having tridentate coordination. In the complex [B(pz)4]2Be (4), the ligands are bidentate and the geometry about the Be atom is distorted tetrahedral. The extracted species of Be2+ with [HB(pz)3]- changes from [HB(pz)3]2Be to [(HB(pz)3)BdOH]3 (5) as the initial concentration of Be2+ increases at 10-4-10-2 M. Complex 5 consists of bidentate [HB(pz)3]- and a cyclic [BeOH]33+ moiety which is the dominant species of Be in aqueous solution (pH 5). The 1H NMR spectra show that solution structures of these complexes in CDCl3 are similar to the structure in solid state. Examination of the dimensions of the complexes revealed that the stability and structure of poly(pyrazolyl)borate complexes of Group 2 metals are controlled by intraligand contact between pyrazolyl rings bonded to the central B atom. This is a novel model of ion size discrimination by chelating ligands.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Joshi, Saurabh; Yip, Yong Jie; Turel, Tankut; Verma, Sandeep; Valiyaveettil, Suresh published the article 《Cu-tetracatechol metallopolymer catalyst for three component click reactions and β-borylation of α,β-unsaturated carbonyl compounds》. Keywords: click reaction three component copper tetracatechol metallopolymer green catalyst; triazole preparation one pot three component click reaction catalyst; unsaturated carbonyl compound borylation copper tetracatechol metallopolymer green catalyst.They researched the compound: 1-(Bromomethyl)-4-iodobenzene( cas:16004-15-2 ).COA of Formula: C7H6BrI. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:16004-15-2) here.

Phenol-metal coordination polymers are used in applications such as catalysis, sensing and separation science. In addition, combining eco-friendly conditions with economical and handling advantages of the polymeric catalyst is of interest to the community. Here, the authors report a simple one-pot synthesis of a tetracatechol-based ligand and its coordination polymer with copper ions. The Cu polymer showed electrochem. potential with a band gap of 1.01 eV. The BET surface area of the metallopolymer was 91.19 m2 g-1 with 0.14 cm3 g-1 pore volume The polymer catalyst was used in a one-pot three-component click reaction and in the borylation of unsaturated carbonyl compounds with a maximum 99% conversion in water and good turnover efficiency even after 4 repetitive catalysis cycles. The polymer catalyst offers several advantages such as high activity, easy handling, scalability, recyclability, and cost effectiveness.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Alcock, Nathaniel W.; Hill, Anthony F.; Melling, Richard P. researched the compound: Potassiumtris(1-pyrazolyl)borohydride( cas:18583-60-3 ).Electric Literature of C9H10BKN6.They published the article 《Polyazolyl chelate chemistry. 3. (σ-Organyl)[tris(pyrazol-1-yl)borato]ruthenium complexes》 about this compound( cas:18583-60-3 ) in Organometallics. Keywords: crystal structure pyrazolylborate ruthenium phenylethynylstyryl; mol structure pyrazolylborato ruthenium phenylethynylstyryl; vinylruthenium chloride complex substitution pyrazolylborate. We’ll tell you more about this compound (cas:18583-60-3).

The reactions of K[HB(pz)3] (pz = pyrazol-1-yl) with the coordinatively unsaturated σ-vinyl complexes [Ru(CR:CHR)Cl(CO)(PPh3)2] (R = H, Me, Ph) proceed with loss of a chloride and a phosphine ligand to provide the compounds [Ru(CR:CHR)(CO)(PPh3){HB(pz)3}] in high yield. Similar treatment of the complex [Ru(C6H4Me-4)Cl(CO)(PPh2)2] leads to the related σ-aryl derivatives [Ru(C6H4Me-4)(CO)(PPh3){HB(pz)3}]. The α-(phenylethynyl)-trans-β-styryl complex [Ru{C(CCPh):CHPh}(CO)(PPh3){HB(pz)3}] is obtained in high yield via the successive treatment of [RuClH(CO)(PPh3)3] with 1,4-diphenyl-1,3-butadiyne and K[HB(pz)3]. The mol. structure of [Ru{C(CCPh):CHPh](CO)(PPh3){HB(pz)3}], determined by x-ray diffraction, can be described as pseudooctahedral with 2 enantiomeric forms in the same asym. unit. The vinyl ligand is almost coplanar with the carbonyl ligand aligned in such a way as to maximize π-retrodative interactions.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Related Products of 18583-60-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Intramolecular thioacyl hydroboration: synthesis of [W(η2-S2CR)(CO)2{η3-HB(pz)2(SCH2R)}] (pz = pyrazol-1-yl, R = C6H4Me-4). Author is Hill, Anthony F.; Malget, John M..

The sequential treatment of [W(CR)Br(CO)4] (R = C6H4-Me-4) with sulfur and K[HnB(pz)4-n] (n = 1 or 2; pz = pyrazol-1-yl) provided [W(η2-S2CR)(CO)2{HB(pz)3}] or [W(η2-S2CR)(CO)2{η3-HB(pz)2(SCH2R)}], the latter via an unusual reduction of the alkylidyne-tungsten linkage.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Synthesis and Characterization of a Specific Iodine-125-Labeled TRPC5 Radioligand, the main research direction is preparation iodine 123 TRPC5 radioligand PET imaging; Ca2+ imaging; PET tracers; TRPC5; autoradiography; iodine; radioligands.Recommanded Product: 16004-15-2.

The nonselective Ca2+-permeable transient receptor potential channel subfamily member 5 (TRPC5) belongs to the transient receptor potential canonical (TRPC) superfamily and is widely expressed in the brain. Compelling evidence reveals that TRPC5 plays crucial roles in depression and other psychiatric disorders. To develop a TRPC5 radioligand, following up on our previous effort, we synthesized the iodine compound TZ66127 and its iodine-125-labeled counterpart [125I]TZ66127. The synthesis of TZ66127 was achieved by replacing chloride with iodide in the structure of HC608, and the [125I]TZ66127 was radiosynthesized using its corresponding tributylstannylated precursor. We established a stable human TRPC5-overexpressed HEK293-hTRPC5 cell line and performed Ca2+ imaging and a cell-binding assay study of TZ66127; these indicated that TZ66127 had good inhibition activity for TRPC5, and the inhibitory efficiency of TZ66127 toward TRPC5 presented in a dose-dependent manner. An in vitro autoradiog. and immunohistochem. study of rat brain sections suggested that [125I]TZ66127 had binding specificity toward TRPC5. Altogether, [125I]TZ66127 has high potential to serve as a radioligand for screening the binding activity of other new compounds toward TRPC5. The availability of [125I]TZ66127 might facilitate the development of therapeutic drugs and PET imaging agents that target TRPC5.

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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Reference of 2-Bromopriopionaldehydediethylacetal. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Bromopriopionaldehydediethylacetal, is researched, Molecular C7H15BrO2, CAS is 3400-55-3, about Structural alterations that differentially affect the mutagenic and antitrichomonal activities of 5-nitroimidazoles. Author is Walsh, John S.; Wang, Regina; Bagan, Edward; Wang, C. C.; Wislocki, Peter; Miwa, Gerald T..

Two approaches have been used to develop nonmutagenic 5-nitroimidazoles, both of which are based on knowledge of the likely mechanisms by which this class of compounds cause mutagenicity. The first approach involves incorporating readily oxidizable gallate derivatives into the mol. In one case, a very weakly mutagenic active antitrichomonal agent was obtained. The second approach involved incorporating a substituent at the C-4 position of the ring. This generally resulted in a large reduction in mutagenicity and a lowering of antitrichomonal activity in vitro. In certain cases, however, mutagenicity was dramatically reduced while moderate antitrichomonal activity was retained. For example, 1,2-dimethyl-4-(2-hydroxyethyl)-5-nitroimidazole (I) showed good antitrichomonal activity in vitro (ED50 = 2 μg/kg) while possessing only 4% of the mutagenicity of metronidazole.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics