82833-93-0

Basic information

• Product Name: (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,4S)-3-bromo-7-methoxy-2,2-dimethyl-chroman-4-yl ester
• CAS NO: 82833-93-0
• Molecular Weight: 503.313
• Mol File: 82833-93-0.mol

Chemical Properties

• CAS DataBase Reference: (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,4S)-3-bromo-7-methoxy-2,2-dimethyl-chroman-4-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,4S)-3-bromo-7-methoxy-2,2-dimethyl-chroman-4-yl ester(82833-93-0)
• EPA Substance Registry System: (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,4S)-3-bromo-7-methoxy-2,2-dimethyl-chroman-4-yl ester(82833-93-0)

Safety Data

• Hazardous Substances Data: 82833-93-0(Hazardous Substances Data)

Upstream product

• 39637-99-5 (-)-methoxytrifluoromethylphenylacetyl chloride 
• 73385-38-3 (+/-)-trans-3-Bromo-7-methoxy-2,2-dimethylchraman-4-ol 
• 17598-02-6 2,2 dimethyl 7 methoxychromene 
• 20445-33-4 (+)-α-methoxy-α-(trifluoromethyl)phenylacetyl chloride 
• 39637-99-5 (S)-(+)-2-methoxy-2-trifluoromethyl-2-phenylacetyl chloride 

Downstream Products

• 82864-24-2 (-)-(3S,4S)-cis-7-Methoxy-2,2-dimethylchromane-3,4-diol 
• 82864-21-9 (+)-(3S,4R)-trans-7-Methoxy-2,2-dimethylchromane-3,4-diol 

Relevant articles and documents

Chemical and enzyme-catalysed syntheses of enantiopure epoxide and diol derivatives of chromene, 2,2-dimethylchromene, and 7-methoxy-2,2-dimethylchromene (precocene-1)

Procaryotic (bacterial) dioxygenase-catalysed asymmetric dihydroxylation of chromene and 2,2-dimethylchromene to yield the (4S)-enantiomers of the corresponding cis-diols exclusively is reported. The epoxide, and derived cis- and trans-diol products from the previously reported eucaryotic (mammalian) metabolism of precocene-1 (7-methoxy-2,2-dimethylchromene), and the corresponding epoxide and diol derivatives of chromene and 2,2-dimethylchromene, have now been obtained in enantiopure form by chemical resolution of the corresponding bromohydrins using methoxy-(trifluoromethyl)phenylacetic acid (MTPA) or camphanate esters. The absolute configurations of the epoxides, cis- and trans-diols have been determined by chemical synthesis from, and stereochemical correlation with, the corresponding camphanate and MTPA esters. X-Ray crystal structure analysis has provided an unequivocal method for assignment of the absolute stereochemistry in each case.