2616-71-9

Basic information

• Product Name: 3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER
• Synonyms: METHYLCHENODEOXYCHOLIC DIACETATE;3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER;3ALPHA,7ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER 3,7-DIACETATE;5BETA-CHOLAN-24-OIC ACID-3ALPHA,7ALPHA-DIOL METHYL ESTER 3,7-DIACETATE;5BETA-CHOLANIC ACID-3ALPHA,7ALPHA-DIOL 3,7-DIACETATE METHYL ESTER;5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA-DIOL DIACETATE METHYL ESTER;3α,7α-diacetoxy-5β-cholan-24-oic acid methyl ester;CHENODEOXYCHOLIC ACID DIACETATE METH
• CAS NO: 2616-71-9
• Molecular Formula: C₂₉H₄₆O₆
• Molecular Weight: 490.67
• Mol File: 2616-71-9.mol
• Article Data: 12

Chemical Properties

• Melting Point: 96-98 °C
• Boiling Point: 531.0±25.0 °C(Predicted)
• Appearance: /
• Density: 1.10±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER(2616-71-9)
• EPA Substance Registry System: 3ALPHA,7ALPHA-DIACETOXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER(2616-71-9)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36
• WGK Germany: 3
• Hazardous Substances Data: 2616-71-9(Hazardous Substances Data)

Usage

Uses

Chenodeoxycholic Acid Diacetate Methyl Ester can be used to treat disorders associated with defects of the cystic fibrosis transmembrane conductance regulator gene or protein.

Upstream product

• 186581-53-3 diazomethane 
• 33628-52-3 3α,7α-diacetoxy-24-phenyl-5β-cholan-24-oic acid 
• 3057-04-3 chenodeoxycholic acid methyl ester 
• 108-24-7 acetic anhydride 
• 82267-82-1 3α,7α-diacetoxy-12,12-ethanediyldimercapto-5β-cholan-24-oic acid methyl ester 
• 76927-60-1 Methyl 3α,7α-diacetoxy-12-oxo-5β-cholanate tosylhydrazone 
• 75-36-5 acetyl chloride 
• 85198-69-2 methyl (3α,5β,7α)-3,7-diacetoxychol-16-en-24-oate 
• 62-84-0 7α-hydroxyandrost-4-ene-3,17-dione 
• 64144-66-7 (3α,5β,7α)-3,7-dihydroxyandrostan-17-one 
• 91378-51-7 7α-hydroxy-5β-androstane-3,17-dione 
• 85198-67-0 (Z)-(3α,5β,7α)-pregn-17(20)-ene-3,7-diol 
• 85198-68-1 (Z)-(3α,5β,7α)-pregn-17(20)-ene-3,7-diol diacetate 
• 28535-81-1 methyl 3α,7α-diacetoxy-12-one-5β-cholest-24-carboxylate 

Downstream Products

• 474-25-9 Chenodeoxycholic Acid 
• 85198-69-2 methyl (3α,5β,7α)-3,7-diacetoxychol-16-en-24-oate 
• 474-25-9 chenodeoxycholic acid 

Relevant articles and documents

Novel derivatives of 3α,7α-dihydroxy-5β-cholan-24-oic acid (chenodeoxycholic acid) and 3α,7β-dihydroxy-5β-cholan-24-oic acid (ursodeoxycholic acid)

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Preparation method of chenodeoxycholic acid

The invention belongs to the field of organic synthesis, and provides a preparation method of chenodeoxycholic acid, which comprises the following steps of: extracting chenodeoxycholic acid serving as one of main components in waste after chenodeoxycholic acid is extracted from duck gall paste, namely seal cholic acid, serving as a raw material; and the chenodeoxycholic acid is obtained by a propylidene protection method, acetylation, propylidene removal, methyl esterification, reaction with p-toluenesulfonyl chloride, bromine substitution, debromination, deprotection and the like. The method for preparing chenodeoxycholic acid is simple, the raw material source is rich, the product yield is high, and industrialization is easy to realize.

Method for synthesizing 3alpha, 7alpha-dihydroxy-5-beta-cholanic acid from duck cholic acid

The invention belongs to the field of organic synthesis of carbocyclic compounds, and particularly relates to a method for synthesizing 3alpha, 7alpha-dihydroxy-5-beta-cholanic acid from duck cholic acid. According to the method, chenodeoxycholic acid with purity of 97.6% is synthesized by using duck cholic acid as a raw material. The comprehensive yield is 87.8%, the purity of the product is highwhile a high-temperature reaction is avoided, and later impurity removal is simple and convenient.

PURIFICATION PROCESS FOR CHENODEOXYCHOLIC ACID

The present invention relates to a process for purifying chenodeoxycholic acid (3α,7α-dihydroxy-5β-cholic acid). In particular, the present invention relates to a process for purifying chenodeoxycholic acid from low grade of chenodeoxycholic acid mixture in swine bile solid, with high yield and purity.