131101-28-5

Basic information

• Product Name: cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene
• Synonyms: cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene
• CAS NO: 131101-28-5
• Molecular Weight: 180.127
• Mol File: 131101-28-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene(CAS DataBase Reference)
• NIST Chemistry Reference: cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene(131101-28-5)
• EPA Substance Registry System: cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene(131101-28-5)

Safety Data

• Hazardous Substances Data: 131101-28-5(Hazardous Substances Data)

Upstream product

• 150895-39-9 (1R,2R)-3-Iodo-6-trifluoromethyl-cyclohexa-3,5-diene-1,2-diol 
• 98-08-8 α,α,α-trifluorotoluene 

Downstream Products

• 1431975-78-8 C₇H₉F₃O₃ 
• 1431975-77-7 (-)-(1S)-1-hydroxy-3-trifluoromethylcyclohexa-2,4-diene 
• 1431975-57-3 trans-(1S,2S)-2-bromo-3-(trifluoromethyl)-3-cyclohexen-1-ol 
• 1431975-53-9 (+)-(1S,2S)-1-acetoxy-2-bromo-3-(trifluoromethyl)cyclohex-3-ene 
• 98-17-9 3-Trifluoromethylphenol 
• 1228121-58-1 (1S,2R,3S)-3-trifluoromethylcyclohexane-1,2-diol 
• 1228121-55-8 (1S,2R,3R)-3-trifluoromethylcyclohexane-1,2-diol 
• 131101-33-2 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1S,7R,8R,9S)-3,5-dioxo-4-phenyl-9-((S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-7-trifluoromethyl-2,4,6-triaza-tricyclo[5.2.2.0^2,6]undec-10-en-8-yl ester 
• 131043-60-2 (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1S,7R,8R,9S)-3,5-dioxo-4-phenyl-9-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-7-trifluoromethyl-2,4,6-triaza-tricyclo[5.2.2.0^2,6]undec-10-en-8-yl ester 
• 113678-92-5 3-trifluoromethyl-1,2-benzenediol 
• 929619-71-6 cis-(1S,2R)-1,2-dihydroxy-3-(trifluoromethyl)cyclohex-3-ene 
• 444-30-4 2-(trifluoromethyl)phenol 
• 131043-54-4 (1R,7S,10R,11S)-10,11-Dihydroxy-4-phenyl-1-trifluoromethyl-2,4,6-triaza-tricyclo[5.2.2.0^2,6]undec-8-ene-3,5-dione 

Relevant articles and documents

Enzyme-catalysed synthesis and absolute configuration assignments of cis-dihydrodiol metabolites from 1,4-disubstituted benzenes

A series of ten cis-dihydrodiol metabolites has been obtained by bacterial biotransformation of the corresponding 1,4-disubstituted benzene substrates using Pseudomonas putida UV4, a source of toluene dioxygenase (TDO). Their enantiomeric excess (ee) values have been established using chiral stationary phase HPLC and 1H NMR spectroscopy. Absolute con_figurations of the majority of cis-dihydrodiols have been established using stereochemical correlation and X-ray crystallography and the remainder have been tentatively assigned using NMR spectroscopic methods but finally confirmed by circular dichroism (CD) spectroscopy. These configurational assignments support and extend the validity of an empirical model, previously used to predict the preferred stereochemistry of TDO-catalysed cis-dihydroxylation of ten 1,4-disubstituted benzene substrates, to more than twenty-five examples.

Enantiomeric Excess and Absolute Configuration Determination of cis-Dihydrodiols from Bacterial Metabolism of Monocyclic Arenes

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