1206695-25-1

Basic information

• Product Name: C₃₁H₃₁BrO₄
• CAS NO: 1206695-25-1
• Molecular Weight: 547.489
• Mol File: 1206695-25-1.mol

Chemical Properties

• CAS DataBase Reference: C₃₁H₃₁BrO₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₃₁H₃₁BrO₄(1206695-25-1)
• EPA Substance Registry System: C₃₁H₃₁BrO₄(1206695-25-1)

Safety Data

• Hazardous Substances Data: 1206695-25-1(Hazardous Substances Data)

Upstream product

• 1206695-23-9 (R)-3-(2,4-bis(benzyloxy)phenyl)-2-(2,4-dimethoxyphenyl)-propan-1-ol 

Relevant articles and documents

Synthetic access to optically active isoflavans by using allylic substitution

A general approach to the (S)- and (R)-isoflavans was invented, and efficiency of the method was demonstrated by the synthesis of (S)-equol ((S)-3), (R)-sativan ((R)-4), and (R)-vestitol ((R)-5). The key step is the allylic substitution of (S)-6a (Ar1=2,4-(MeO)2C6H3) and (R)-6b (Ar1=2,4-(BnO)2C6H3) with copper reagents derived from CuBr·Me2S and Ar2-MgBr (7a, Ar2=4-MeOC6H4; 7b, 2,4-(MeO)2C6H3; 7c, 2-MOMO-4-MeOC6H3), furnishing anti SN2′ products (R)-8a and (S)-8b,c with 93-97% chirality transfer in 60-75% yields. The olefinic part of the products was oxidatively cleaved and the Me and Bn groups on the Ar1 moieties was then removed. Finally, phenol bromide 9a and phenol alcohols 9b,c underwent cyclization with K2CO3 and the Mitsunobu reagent to afford (S)-3 and (R)-4 and -5, respectively.