1516887-33-4

Basic information

• Product Name: (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid
• Synonyms: Obeticholic Acid-G;(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid;(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acidid;(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-diMethyl-7-oxo- hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;Obeticholic Acid N-2;Obeticholic Acid N-5;(R)-methyl 4-((3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate;(R)-methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
• CAS NO: 1516887-33-4
• Molecular Formula: C26H40O4
• Molecular Weight: 416.5934
• EINECS: 1592732-453-0
• Product Categories: Obeticholic acid intermediate;Ocaliva intermediate
• Mol File: 1516887-33-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 573.1±43.0 °C(Predicted)
• Appearance: /
• Density: 1.142±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.76±0.10(Predicted)
• CAS DataBase Reference: (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid(1516887-33-4)
• EPA Substance Registry System: (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid(1516887-33-4)

Safety Data

• Hazardous Substances Data: 1516887-33-4(Hazardous Substances Data)

Usage

Uses

A byproduct in the synthesis of Obeticholic Acid (E899810). May be useful in the treatment of liver diseases.

Upstream product

• 1516887-31-2 (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid methyl ester 
• 75-07-0 acetaldehyde 
• 111824-30-7 3-spiro[1,3]dioxolane-6α-hydroxy-5β-cholan-24-oic acid methyl ester 
• 2868-48-6 methyl hyodeoxycholate 
• 3360-89-2 3α-oxo-6α-hydroxy-5β-cholan-24-oic acid methyl ester 
• 10538-59-7 7-ketolithocholic methyl ester 

Downstream Products

• 1516887-31-2 (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid methyl ester 

Relevant articles and documents

(E)-3 alpha-hydroxy-6-ethylidene-7-oxo-5 beta-cholestane-24-acid preparation method

The invention discloses a (E)-3 alpha-hydroxy-6-ethylidene-7-oxo-5 beta-cholestane-24-acidpreparation method, which specially comprises: 1, carrying out a condensation reaction on 3 alpha-hydroxy-7-oxo-5 beta-cholestane-24-acid methyl ester to obtain 3 al

Preparing method of (E)-3alpha-hydroxy-6-ethidene-7-keto-5beta-cholane-24-acid

The invention discloses a preparing method of (E)-3alpha-hydroxy-6-ethidene-7-keto-5beta-cholane-24-acid. Particularly, the preparing method includes the following steps of synchronously protecting of the 3-alcoholic hydroxyl group and the 7-enolic hydroxyl group; introducing a 6-carbon-carbon double bond and removing a protecting group; hydrolyzing an ester intermediate and recrystallizing the final product. Compared with a method for preparing (E)-3alpha-hydroxy-6-ethidene-7-keto-5beta-cholane-24-acid in the prior art, the preparing method has the advantages of being stable in reaction, high in yield, small in amount of side reaction, high in quality and the like and has broad development and application prospects.