1352328-65-4

Basic information

• Product Name: Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-
• Synonyms: Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-
• CAS NO: 1352328-65-4
• Molecular Formula: C₃₇H₆₀O₄Si₂
• Molecular Weight: 625.0409
• Mol File: 1352328-65-4.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-(CAS DataBase Reference)
• NIST Chemistry Reference: Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-(1352328-65-4)
• EPA Substance Registry System: Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-(1352328-65-4)

Safety Data

• Hazardous Substances Data: 1352328-65-4(Hazardous Substances Data)

Usage

Uses

Phenylmethyl 3,7-Bis[(trimethylsilyl)oxy]-chol-6-en-24-oic Acid Ester is an intermediate used in the synthesis of 6-Ethylchenodeoxycholic-d5 Acid (E899812), which is an isotope labelled compound of 6-Ethylchenodeoxycholic Acid (E899810), which is used in the investigative treatment of primary biliary cholangitis. Primary biliary cholangitis is an autoimmune disease of the liver that slowly progresses to cirrhosis.

Upstream product

• 4651-67-6 7-Ketolithocholic acid 
• 100-44-7 benzyl chloride 
• 474-25-9 chenodeoxycholic acid 
• 75-77-4 chloro-trimethyl-silane 
• 1352328-64-3 3α-hydroxy-7-keto-5β-24-cholanic acid benzyl ester 

Downstream Products

• 1352328-66-5 3α-hydroxy-6-ethylidene-7-oxo-5β-cholanoic acid benzyl ester 

Relevant articles and documents

SYNTHESIS OF OBETICHOLIC ACID AND SYNTHESIS INTERMEDIATE

The present invention relates to a new intermediate for the synthesis of obeticholic acid, the compound of formula (I) or a geometric isomer thereof, a process for obtaining the same, as well as the use of said intermediate in the synthesis of obeticholic acid.

Preparation method for obeticholic acid and intermediate thereof

The invention relates to a preparation method for obeticholic acid and an intermediate thereof. The intermediate 3alpha-hydroxy-6alpha-ethyl-7-keto-5beta-cholanic acid is obtained by subjecting 3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholanic acid benzyl ester compounds to a reaction under the action of a catalyst and a hydrogen donor. The catalyst is selected from Pd/C or PtO2 or Raney Ni. The hydrogen donor is selected from cyclohexene or cyclohexadiene or tetrahydronaphthalene. According to the method, the yield is high, the stereoselectivity is high, safety is good, the reaction condition is mild, and the method is applicable to industrial production.