124729-57-3

Basic information

• Product Name: 3,7-dihydroxy-7-ethylcholanoic acid
• Synonyms: 3,7-dihydroxy-7-ethylcholanoic acid
• CAS NO: 124729-57-3
• Molecular Formula: C26H44 O4
• Molecular Weight: 420.6252
• Mol File: 124729-57-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 559.1°Cat760mmHg
• Flash Point: 306°C
• Appearance: /
• Density: 1.095g/cm³
• Vapor Pressure: 7.87E-15mmHg at 25°C
• Refractive Index: 1.531
• PKA: 4.76±0.10(Predicted)
• CAS DataBase Reference: 3,7-dihydroxy-7-ethylcholanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dihydroxy-7-ethylcholanoic acid(124729-57-3)
• EPA Substance Registry System: 3,7-dihydroxy-7-ethylcholanoic acid(124729-57-3)

Safety Data

• Hazardous Substances Data: 124729-57-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C26H44O4/c1-5-26(30)15-17-14-18(27)10-12-24(17,3)21-11-13-25(4)19(7-8-20(25)23(21)26)16(2)6-9-22(28)29/h16-21,23,27,30H,5-15H2,1-4H3,(H,28,29)/t16-,17?,18?,19+,20+,21+,23+,24+,25-,26?/m1/s1

Upstream product

• 3057-04-3 chenodeoxycholic acid methyl ester 
• 4651-67-6 7-Ketolithocholic acid 
• 925-90-6 ethylmagnesium bromide 
• 474-25-9 chenodeoxycholic acid 
• 10538-59-7 7-ketolithocholic methyl ester 

Relevant articles and documents

Synthesis of bile acid analogs: 7-alkylated chenodesoxycholic acids

This paper describes a method for the preparation of 7-alkylated chenodesoxycholic acids from 3α-hydroxy-7-oxo-5β-cholanoic acid.The synthetic procedure is based upon Grignard reaction between the keto bile acid and an alkyl magnesium halide.Under the conditions employed, the introduction of alkyl groups is highly stereoselective.Only 7β-alkylated epimers are obtained.The overall yield is several-fold higher than that obtained by the previous method, which involved the preparation of an oxazoline intermediate.

Chemical synthesis

A process for the production of disubstituted bile acid analogs, including the disubstituted analogs of such bile acids as, lithocholic, hyodeoxycholic, cholic, chenodeoxycholic and ursodeoxycholic acids. This invention was made in the course of work performed under a grant from the U.S. National Heart Lung and Blood Institute.