21059-39-2

Basic information

• Product Name: methyl 3α-acetyloxy-7-oxo-12α-hydroxy-5β-cholan-24-oate
• Synonyms: methyl 3α-acetyloxy-7-oxo-12α-hydroxy-5β-cholan-24-oate
• CAS NO: 21059-39-2
• Molecular Weight: 462.627
• Mol File: 21059-39-2.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: methyl 3α-acetyloxy-7-oxo-12α-hydroxy-5β-cholan-24-oate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3α-acetyloxy-7-oxo-12α-hydroxy-5β-cholan-24-oate(21059-39-2)
• EPA Substance Registry System: methyl 3α-acetyloxy-7-oxo-12α-hydroxy-5β-cholan-24-oate(21059-39-2)

Safety Data

• Hazardous Substances Data: 21059-39-2(Hazardous Substances Data)

Upstream product

• 911-40-0 7-ketodeoxycholic acid 
• 108-24-7 acetic anhydride 

Downstream Products

• 4651-67-6 7-Ketolithocholic acid 
• 10452-65-0 methyl 3α-acetoxy-7-oxo-5β-cholan-24-oate 
• 128-13-2 ursodeoxycholic acid 
• 474-25-9 chenodeoxycholic acid 
• 58822-33-6 methyl 3α,12α-diacetyloxy-7α-hydroxy-5β-cholan-24-oate 
• 7443-91-6 methyl cholate 3-acetate 
• 318473-26-6 Naphthalene-2-carboxylic acid (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetoxy-17-((R)-3-methoxycarbonyl-1-methyl-propyl)-10,13-dimethyl-7-(2-oxo-2-phenyl-acetoxy)-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester 
• 21066-20-6 methyl 7-dehydrocholate diacetate (methyl 3α,12α-diacetoxy-7-oxo-5β-cholan-24-oate) 

Relevant articles and documents

A facile synthesis of ursodeoxycholic acid and obeticholic acid from cholic acid

A novel synthetic route of producing ursodeoxycholic acid (UDCA) and obeticholic acid (OCA) was developed through multiple reactions from cheap and readily-available cholic acid. The reaction conditions of the key elimination reaction of mesylate ester group were also investigated and optimized, including solvent, base and reaction temperature. In the straightforward synthetic route for preparation of UDCA and OCA, most of the reaction steps have high conversions with average yields of 94% and 92%, and overall yield up to 65% (7 steps) and 36% (11 steps) from cholic acid, respectively. This promising route offers economical and efficient strategies for potential large-scale production of UDCA and OCA.

[...] synthetic method and intermediate (by machine translation)

The invention discloses a method for synthesizing [...], the cholic acid as the raw material, after 7 α - hydroxy selective oxidation, side chain carboxyl ester, 3 α - hydroxy ester, 12 α - hydroxy methanesulfonic acid esterification, eliminate, selective hydrolysis of 3 bit ester group, with the three-a chlorosilane reaction to produce the silicon ether, with acetaldehyde to aldol condensation, and the hydrolysis, catalytic hydrogenation reduction olefinic bond, carbonyl reduction reaction such as, to synthesize states the aobeiaobei cholic acid. The method of the invention uses cheap cholic acid as raw materials, synthetic method is novel, low cost, high yield, mild reaction conditions, easy post treatment, environmental friendly, convenient to industrial production. (by machine translation)

A synthesis method of ursodeoxycholic acid (by machine translation)

The invention discloses a method for synthesizing of ursodeoxycholic acid, the cholic acid as the raw material, after 7 α - hydroxy selective oxidation, side chain carboxyl ester, 3 α - hydroxy ester, 12 α - hydroxy methanesulfonic acid esterification, elimination, hydrolysis, reduction of synthesis of ursodeoxycholic acid. The invention of ursodeoxycholic acid synthesis method, simple steps, less side reaction, high yield, raw materials are easy, is suitable for industrial production, solved in the prior art synthesis cost high, the yield is low and the like, and has a wide application. (by machine translation)