Month: March 2022

HPLC of Formula: 53562-86-0. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (S)-Methyl 3-hydroxybutanoate, is researched, Molecular C5H10O3, CAS is 53562-86-0, about Inversion of cpADH5 Enantiopreference and Altered Chain Length Specificity for Methyl 3-Hydroxyalkanoates. Author is Ensari, Yunus; Dhoke, Gaurao V.; Davari, Mehdi D.; Bocola, Marco; Ruff, Anna Joelle; Schwaneberg, Ulrich.

Expanding the substrate scope of enzymes opens up new routes for synthesis of valuable chems. Ketone-functionalized fatty acid derivatives and corresponding chiral alcs. are valuable building blocks for the synthesis of a variety of chems. including pharmaceuticals. The alc. dehydrogenase from Candida parapsilosis (cpADH5) catalyzes the reversible oxidations of chiral alcs. and has a broad substrate range; a challenge for cpADH5 is to convert alcs. with small substituents (Me or ethyl) next to the oxidized alc. moiety. Mol. docking studies revealed that W286 is located in the small binding pocket and limits the access to substrates that contain aliphatic chains longer than Et substituent. In the current manuscript, we report that positions L119 and W286 are key residues to boost oxidation of medium chain Me 3-hydroxy fatty acids; interestingly the enantiopreference toward Me 3-hydroxybutyrate was inverted. Kinetic characterization of W286A showed a 5.5 fold increase of Vmax and a 9.6 fold decrease of Km values toward Me 3-hydroxyhexanoate (Vmax: 2.48 U mg- and Km: 4.76 mM). Simultaneous saturation at positions 119 and 286 library yielded a double mutant (L119M/W286S) with more than 30-fold improved activity toward Me 3-hydroxyoctanoate (WT: no conversion; L119M/W286S: 30 %) and inverted enantiopreference (S-enantiomer ≥99 % activity decrease and R-enantiomer >20-fold activity improvement) toward Me 3-hydroxybutyrate.

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Electric Literature of C9H10BKN6. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Synthesis, properties and structural characterization of [SmCl(BHpz3)2(Hpz)] (pz = 1-pyrazolyl group). Author is Onishi, Masayoshi; Itoh, Kei; Hiraki, Katsuma.

In THF at -78°, potassium tris(1-pyrazolyl)hydroborate K[BHpz3] (pz = 1-pyrazolyl group) reacted with SmCl3.6H2O in a 1:1 molar ratio, and CH2Cl2 extraction of the reaction mixture yielded the white powder, [SmCl(BHpz3)2(Hpz)] (1), in 60.4% yield. The 1H-NMR spectrum of 1 showed only one signal set of pyrazolyl groups for two BHpz3 ligands. Colorless prismatic crystals of 1 were obtained and single crystal x-ray structural determination was undertaken. An eight-coordinated monomeric structure was confirmed for 1, and square-antiprismatic geometry around Sm was revealed. The structural determination indicated H bonding of the acidic proton on the 1-N nitrogen of the coordinated Hpz mol., with the Cl atom on Sm.

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Electric Literature of C9H10BKN6. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about A Moessbauer study of some iron(II) and iron(III) poly(pyrazolyl)borates. The x-ray crystal structures of iron(II) bis[hydridotris(3-methyl-1H-pyrazol-1-yl)borate] and iron(III) bis[hydridotris(1H-pyrazol-1-yl)borate] tetrafluoroborate. Author is Calogero, S.; Lobbia, G. Gioia; Cecchi, P.; Valle, G.; Friedl, J..

FeL2 or [FeL2]X (X = BF4 or BPh4) with L = BHR3 (R = 1H-pyrazol-1-yl) (L0), BR4 (L0′), BHR13 (R1 = 3-methyl-1H-pyrazol-1-yl) (L1), BHR23 (R2 = 3,5-dimethyl-1H-pyrazol-1-yl) (L2), BHR33 (R3 = 4-chloro-3,5-dimethyl-1H-pyrazol-1-yl) (L2Cl), BHR43 = (R4 = 3,4,5-trimethyl-1H-pyrazol-1-yl) (L3), BHR53 (R5 = 1,2,4-1H-triazol-1-yl) (Ltz) and BHR63 (R6 = 3a,7a-benzo-1,2,3-1H-triazol-1-yl) (Lbtz) was prepared The series was characterized mainly by the 57Fe Moessbauer effect. The x-ray crystal structures of Fe[BHR13]2 (3) and Fe[BHR3]2BF4 (9) were resolved. Discrete units with octahedral FeIIN6 or FeIII sites are present in each. The Fe-N bond length ranges from 2.197(4) to 2.215(4) Å in 3 and from 1.948(6) to 1.964(6) Å in 9. The bond angle ranges from 86.4(2)° to 93.7(2)° in 3 and from 88.3(4)° to 90.9(5)° in 9.

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Piperazine – Wikipedia,
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Product Details of 66-71-7. 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. Compound: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Mixed ligand complexes of copper(II) with benzoyltrifluoroacetone, 1,10-phenanthroline and 2,2′-bipyridine: Structure, spectroscopic and antimicrobial properties.

Mixed ligand copper(II) complexes of Benzoyltrifluoroacetone (BTAH) with 1,10-phenanthroline (Phen) and 2,2′-bipyridine (Bipy) were synthesized and characterized. These complexes, namely [Cu(BTA)(Phen)(NO3)] (1), [Cu(BTA)(Phen)Cl] (2), [Cu(BTA)(Bipy)(NO3)] (3), [Cu(BTA)(Bipy)Cl] (4), and [Cu(BTA)(Phen)Br]•H2O (5), were characterized by elemental anal.; spectral; magnetic and molar conductance measurements; mass spectrometry; thermal anal. and antimicrobial susceptibility testing. The structures of 1 and 4 contained square pyramidal copper(II) environments. The microbiostatic activity revealed that the copper complexes showed pronounced activity in all the tested bacteria, except in Klebsiella pneumonia, Escherichia coli and Salmonella enterica in which some of the complexes were moderately active on the bacterial strains.

If you want to learn more about this compound(1,10-Phenanthroline)Product Details of 66-71-7, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(66-71-7).

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

Reference of 1,10-Phenanthroline. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Design of Bis(1,10-phenanthroline) Copper(I)-Based Mechanochromic Indicators. Author is Barilone, Jessica L.; Tuma, Jiri; Brochard, Solene; Babkova, Katerina; Krupicka, Martin.

In the growing field of single-mol. mechanochromism, the potential of transition metal complexes is yet to be examined The authors synthesized [Cu(phen)2]+ complexes: bis-Cu(I)-phenanthroline, bis-Cu(I)-phenanthroline-2-amine, and bis-Cu(I)-phenanthroline-2-acetamide. After that, the authors characterized the complexes by UV-visible spectroscopy and employed d. functional theory (DFT) calculations to study the changes in UV-visible upon mech. pulling via force calculations The results of the authors′ examination of time-dependent (TD)-DFT-calculated UV-visible suggests that the bis-Cu(I)-phenanthroline-2-acetamide complex is predicted to have an observable shift of the metal-to-ligand charge transfer band upon pulling from 0 to 0.6 nN in the visible region. The authors demonstrated the ability to synthesize and characterize bis-Cu(I)-phenanthroline-2-acetamide. The TD-DFT calculations predict an observable shift in the visible region of the UV-visible spectrum. Transition metal complexes are feasible candidates as mechanophores and are worthy of further exploration as to their potential role in a new subclass of mechanochromic indicators.

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Piperazine – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The preparation of α-bromoacetals》. Authors are Marvell, Elliot N.; Joncich, Micheal J..The article about the compound:2-Bromopriopionaldehydediethylacetalcas:3400-55-3,SMILESS:CC(Br)C(OCC)OCC).Recommanded Product: 2-Bromopriopionaldehydediethylacetal. Through the article, more information about this compound (cas:3400-55-3) is conveyed.

Acetals can be brominated readily by N-bromosuccinimide (I). The predominant products from the di-Et acetals of AcH (II), EtCHO (III), PrCHO (IV), and iso-PrCHO (V) were the α-bromoacetals. A by-product containing a more reactive Br was noted in each case. PhCH(OEt)2 and I yielded EtOBz. I is better than Br for the preparation of α-bromoacetals. Me(CH2)5CHO and I yielded no pure product. I added to the acetal (equimolar quantities) in direct sunlight (temperature kept below 40°), the mixture cooled, filtered, washed with CCl4, the filtrate and washings shaken 30 min. with NaHCO3, the organic layer separated and distilled yielded the α-bromoacetal, of which the yield(%), b.p./mm., n20D, d2020, and MRD calculated (found) are: II, 57, 67°/15, 1.4401, 1.286, 40.9 (40.4); III, 68, 82-5°/30, 1.4371, 1.207, 45.6 (45.9); IV, 24, 74-7°/15, 1.4418, 1.170, 50.2 (50.9); V, 59, 87.5°/30, 1.4345, 1.141, 50.2 (50.6).

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

Computed Properties of C5H13NO. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (S)-1-(Dimethylamino)propan-2-ol, is researched, Molecular C5H13NO, CAS is 53636-17-2, about Direct enantiomeric separation of β-aminoalcohols with a tertiary amine moiety by ligand-exchange chromatography with chemiluminescence detection. Author is Yamazaki, Shigeo; Tanimura, Takenori; Uchikura, Kazuo.

Underivatized aliphatic β-aminoalcs. with a tertiary amine moiety could be separated into enantiomers by ligand-exchange chromatog. with chemiluminescence detection using octadecylsilanized silica gel coated with N-n-dodecyl-(1R,2S)-norephedrine as the stationary phase and an aqueous solution containing copper(II) and barbital as the mobile phase.

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Piperazine – Wikipedia,
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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Potassiumtris(1-pyrazolyl)borohydride, is researched, Molecular C9H10BKN6, CAS is 18583-60-3, about Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.Safety of Potassiumtris(1-pyrazolyl)borohydride.

The structure of the complex [{Pb(HBpz3)}{Au3(o-C6BrF4)3(HBpz3)}] consists of a host-guest heterometallic system built up through a plethora of interactions including electrostatic, metallophilic, H-bonding, Au···Br or weak C···C or Pb···Br contacts. Computational studies show that the dispersive interactions are responsible for the attraction of the Pb(II) cationic moiety within the basket-like trinuclear Au(I) fragment, whereas the ionic component of the interaction placed at the rings produces a mol. clamp.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis of some new substituted Di-tert-butylphenols as potential COX-2 inhibitors, published in 2004-09-30, which mentions a compound: 54903-09-2, mainly applied to aryl ketone benzaldehyde condensation; benzoxazolyl aryl propenone preparation; benzoxazinyl aryl propenone preparation, Name: 6-Acetylbenzo[d]oxazol-2(3H)-one.

Selective cyclooxygenase-2 (COX-2) inhibitors have been shown to be potent antiinflammatory agents with fewer side effects than currently marketed nonsteroidal antiinflammatory drugs (NSAIDs). In previous researches, di-tert-butylphenol derivatives were more potent and selective for COX-2 vs. COX-1 based on enzyme assays, the synthesis of benzoxazole-, benzoxazolinone- and benzoxazinone- derived di-tert-butylphenols in order to increase potential COX-2 inhibitory activity is described. Starting from the readily available 6-acetyl-2-benzoxazolinone, some substituted di-tert-butylphenols were prepared in good yield.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics

SDS of cas: 66-71-7. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1,10-Phenanthroline, is researched, Molecular C12H8N2, CAS is 66-71-7, about Synthesis of Indoles by Palladium-Catalyzed Reductive Cyclization of β-Nitrostyrenes with Phenyl Formate as a CO Surrogate. Author is Ferretti, Francesco; Fouad, Manar Ahmed; Ragaini, Fabio.

The synthesis of indoles by reductive cyclization of o-nitrostyrenes using Ph formate as a CO surrogate, using a palladium/1,10-phenanthroline complex as catalyst was recently reported. However, depending on the desired substituents on the structure, the use of β-nitrostyrenes as alternative reagents may be advantageous. The results of this study on the possibility to use Ph formate as a CO surrogate in the synthesis of indoles by reductive cyclization of β-nitrostyrenes, using PdCl2(CH3CN)2+phenanthroline as the catalyst was reported. It turned out that good results obtained when the starting nitrostyrene bears an aryl substituent in the alpha position. However, when no such substituent present, only fair yield of indole was obtained because the base required to decompose the formate also catalyzes an oligo-polymerization of the starting styrene. The reaction performed in a single glass pressure tube, a cheap and easily available piece of equipment.

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Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics