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93-56-1,MFCD00003546
Catalog No.:AA00IHD9

93-56-1 | 1-Phenyl-1,2-ethanediol

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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IHD9
Chemical Name:
1-Phenyl-1,2-ethanediol
CAS Number:
93-56-1
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD00003546
SMILES:
OCC(c1ccccc1)O
NSC Number:
406601
Properties
Computed Properties
 
Complexity:
87.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.4  

Literature

Title: Metabolism of styrene to styrene oxide and vinylphenols in cytochrome P450 2F2- and P450 2E1-knockout mouse liver and lung microsomes.

Journal: Chemical research in toxicology 20140121

Title: Efficient asymmetric hydrolysis of styrene oxide catalyzed by Mung bean epoxide hydrolases in ionic liquid-based biphasic systems.

Journal: Bioresource technology 20120701

Title: Hot or not? Discovery and characterization of a thermostable alditol oxidase from Acidothermus cellulolyticus 11B.

Journal: Applied microbiology and biotechnology 20120701

Title: Specificity of the ester bond forming condensation enzyme SgcC5 in C-1027 biosynthesis.

Journal: Organic letters 20120504

Title: Modification of the metabolism and toxicity of styrene and styrene oxide in hepatic cytochrome P450 reductase deficient mice and CYP2F2 deficient mice.

Journal: Toxicology 20120411

Title: Efficient asymmetric reduction of 4-(trimethylsilyl)-3-butyn-2-one by Candida parapsilosis cells in an ionic liquid-containing system.

Journal: PloS one 20120101

Title: Preparative-scale kinetic resolution of racemic styrene oxide by immobilized epoxide hydrolase.

Journal: Enzyme and microbial technology 20111210

Title: Laboratory evolution of an epoxide hydrolase - towards an enantioconvergent biocatalyst.

Journal: Journal of biotechnology 20111020

Title: Essential oils and fatty acids composition of Tunisian and Indian cumin (Cuminum cyminum L.) seeds: a comparative study.

Journal: Journal of the science of food and agriculture 20110830

Title: Synthesis, characterization, reactivity and catalytic activity of oxidovanadium(IV), oxidovanadium(V) and dioxidovanadium(V) complexes of benzimidazole modified ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110714

Title: Novel anti-Prelog stereospecific carbonyl reductases from Candida parapsilosis for asymmetric reduction of prochiral ketones.

Journal: Organic & biomolecular chemistry 20110607

Title: Discovery of a nortropanol derivative as a potent and orally active GPR119 agonist for type 2 diabetes.

Journal: Bioorganic & medicinal chemistry letters 20110601

Title: [Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis].

Journal: Wei sheng wu xue bao = Acta microbiologica Sinica 20110601

Title: [Expression and subcellular localization of (R)- and (S)-specific carbonyl reductases from Candida parapsilosis in Saccharomyces cerevisia].

Journal: Wei sheng wu xue bao = Acta microbiologica Sinica 20110601

Title: Water-deficit impact on fatty acid and essential oil composition and antioxidant activities of cumin (Cuminum cyminum L.) aerial parts.

Journal: Journal of agricultural and food chemistry 20110112

Title: Carbonyl reductase SCRII from Candida parapsilosis catalyzes anti-Prelog reaction to (S)-1-phenyl-1,2-ethanediol with absolute stereochemical selectivity.

Journal: Bioresource technology 20110101

Title: Marine biocatalysts: enzymatic features and applications.

Journal: Marine drugs 20110101

Title: Enhancement of Candida parapsilosis catalyzing deracemization of (R,S)-1-phenyl-1,2-ethanediol to its (S)-enantiomer by a highly productive 'two-in-one' resin-based in situ product removal strategy.

Journal: Bioresource technology 20101101

Title: Highly enantioselective reduction of 2-hydroxy-1-phenylethanone to enantiopure (R)-phenyl-1,2-ethanediol using Saccharomyces cerevisiae of remarkable reaction stability.

Journal: Bioresource technology 20101101

Title: Biotransformation of α-bromoacetophenones by the marine fungus Aspergillus sydowii.

Journal: Marine biotechnology (New York, N.Y.) 20101001

Title: Characterization of the epoxide hydrolase NcsF2 from the neocarzinostatin biosynthetic gene cluster.

Journal: Organic letters 20100903

Title: Improved production of (R)-1-phenyl-1,2-ethanediol by a codon-optimized R-specific carbonyl reductase from Candida parapsilosis in Escherichia coli.

Journal: Applied biochemistry and biotechnology 20100301

Title: Enhancement of substrate concentration in microbial stereoinversion through one-pot oxidation and reduction by aqueous two-phase system.

Journal: Bioprocess and biosystems engineering 20100301

Title: [Gene cloning and expression of a novel (S)-specific carbonyl reductase].

Journal: Wei sheng wu xue bao = Acta microbiologica Sinica 20100101

Title: [Improved expression and catalytic efficiency of (R)-carbonyl reductase in Escherichia coli by secondary structure optimization of mRNA translation initiation region].

Journal: Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20091201

Title: Cloning and characterization of an epoxide hydrolase from Novosphingobium aromaticivorans.

Journal: Applied microbiology and biotechnology 20090401

Title: An approach based on liquid chromatography/electrospray ionization-mass spectrometry to detect diol metabolites as biomarkers of exposure to styrene and 1,3-butadiene.

Journal: Analytical biochemistry 20090315

Title: [Construction of an enzyme-coupled system consisting of (R)- and (S)-specific carbonyl reductases for one-step preparation of (S)-1-phenyl-1,2-ethanediol].

Journal: Wei sheng wu xue bao = Acta microbiologica Sinica 20090201

Title: A new strategy to improve the efficiency and sustainability of Candida parapsilosis catalyzing deracemization of (R,S)-1-phenyl-1,2-ethanediol under non-growing conditions: increase of NADPH availability.

Journal: Journal of microbiology and biotechnology 20090101

Title: Using a water-immiscible ionic liquid to improve asymmetric reduction of 4-(trimethylsilyl)-3-butyn-2-one catalyzed by immobilized Candida parapsilosis CCTCC M203011 cells.

Journal: BMC biotechnology 20090101

Title: [Co-expression of formate dehydrogenase from Candida boidinii and (R)-specific carbonyl reductase from Candida parapsilosis CCTCC M203011 in Escherichia coli].

Journal: Wei sheng wu xue bao = Acta microbiologica Sinica 20081201

Title: Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.

Journal: Protein science : a publication of the Protein Society 20080801

Title: Biosynthesis of (R)-phenyl-1,2-ethanediol from racemic styrene oxide by using bacterial and marine fish epoxide hydrolases.

Journal: Biotechnology letters 20080101

Title: Screening enantioselective epoxide hydrolase activities from marine microorganisms: detection of activities in Erythrobacter spp.

Journal: Marine biotechnology (New York, N.Y.) 20080101

Title: A catalytic one-step process for the chemo- and regioselective acylation of monosaccharides.

Journal: Journal of the American Chemical Society 20071024

Title: Simultaneous determination of phenylglyoxylic acid, mandelic acid, styrene glycol and hippuric acid in primary culture of rat hepatocytes incubate by high-performance liquid chromatography.

Journal: Biomedical chromatography : BMC 20070501

Title: A novel NADH-dependent carbonyl reductase with unusual stereoselectivity for (R)-specific reduction from an (S)-1-phenyl-1,2-ethanediol-producing micro-organism: purification and characterization.

Journal: Letters in applied microbiology 20070501

Title: New phenyl-ethanediols from the culture broth of Boletus edulis.

Journal: Journal of basic microbiology 20070401

Title: Polymer supported vanadium and molybdenum complexes as potential catalysts for the oxidation and oxidative bromination of organic substrates.

Journal: Dalton transactions (Cambridge, England : 2003) 20060807

Title: Enantioconvergent production of (R)-1-phenyl-1,2-ethanediol from styrene oxide by combining the Solanum tuberosum and an evolved Agrobacterium radiobacter AD1 epoxide hydrolases.

Journal: Biotechnology and bioengineering 20060620

Title: Enzymatic resolution of racemic phenyloxirane by a novel epoxide hydrolase from Aspergillus niger SQ-6 and its fed-batch fermentation.

Journal: Journal of industrial microbiology & biotechnology 20060401

Title: Synthesis, characterisation, reactivity and in vitro antiamoebic activity of hydrazone based oxovanadium(IV), oxovanadium(V) and mu-bis(oxo)bis{oxovanadium(V)} complexes.

Journal: Dalton transactions (Cambridge, England : 2003) 20060221

Title: Colorimetric assays for quantitative analysis and screening of epoxide hydrolase activity.

Journal: Biotechnology letters 20051201

Title: Preparation and evaluation of a chiral stationary phase covalently bound with chiral pseudo-1 8-crown-6 ether having 1-phenyl-1,2-cyclohexanediol as a chiral unit.

Journal: Journal of chromatography. A 20050617

Title: Block copolymers of ethylene oxide and phenyl glycidyl ether: micellization, gelation, and drug solubilization.

Journal: Langmuir : the ACS journal of surfaces and colloids 20050607

Title: Determination of absolute configuration of acyclic 1,2-diols with [Mo2(OAc)4], part 2: new structural evidence toward a rationale of the method: what remains of [Mo2(OAc)4] in DMSO solution?

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20040305

Title: Synthesis, biological, and chiroptical activity of 3-phenyl-clavams.

Journal: Bioorganic & medicinal chemistry 20040115

Title: A novel approach based on solid phase microextraction gas chromatography and mass spectrometry to the determination of highly reactive organic compounds in cells cultures: styrene oxide.

Journal: Chemical research in toxicology 20040101

Title: A spectrophotometric assay for measuring and detecting an epoxide hydrolase activity.

Journal: Analytical biochemistry 20030301

Title: DNA single strand breaks induced by low levels of occupational exposure to styrene: the gap between standards and reality.

Journal: Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20020101

Title: Liquid chromatography/electrospray tandem mass spectrometry characterization of styrene metabolism in man and in rat.

Journal: Rapid communications in mass spectrometry : RCM 20020101

Title: Trospium chloride--an effective drug in the treatment of overactive bladder and detrusor hyperreflexia.

Journal: World journal of urology 20011101

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Tags:93-56-1 Molecular Formula|93-56-1 MDL|93-56-1 SMILES|93-56-1 1-Phenyl-1,2-ethanediol |Organic_Building_Blocks