GLYCODEHYDROCHOLIC ACID

Base Information

• Chemical Name: GLYCODEHYDROCHOLIC ACID
• CAS No.: 3415-45-0
• Molecular Formula: C₂₆H₃₇NO₆
• Molecular Weight: 459.583
• Mol file: 3415-45-0.mol

Synonyms:Glycine,N-(3,7,12-trioxo-5b-cholan-24-oyl)- (8CI); Glycodehydrocholic acid (6CI,7CI); Cholane,glycine deriv.; 3,7,12-Trioxo-N-(carboxymethyl)-5b-cholan-24-amide; Glycine dehydrocholate

Chemical Property of GLYCODEHYDROCHOLIC ACID

Chemical Property:

• Melting Point: 248 °C(Solv: ethanol, 80% (64-17-5))
• Boiling Point: 692.1±55.0 °C(Predicted)
• PKA: 3.58±0.10(Predicted)
• PSA: 117.61000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 3.58040

Purity/Quality:

98% ^*data from raw suppliers

Glycodehydrocholic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of GLYCODEHYDROCHOLIC ACID

There total 4 articles about GLYCODEHYDROCHOLIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2,5-dioxo-pyrrolidin-1-yl ester (204705-14-6) → glycodehydrocholic acid (13215-48-0,137942-25-7,3415-45-0)

Guidance literature:

With triethylamine; glycine; In dimethyl sulfoxide; at 20 ℃; for 4h;

DOI:10.2174/157018012800673010

Reference yield:

dehydrocholic acid (81-23-2) → glycodehydrocholic acid (13215-48-0,137942-25-7,3415-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 4 h

2: triethylamine; glycine / dimethyl sulfoxide / 4 h / 20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; glycine; In dichloromethane; dimethyl sulfoxide;

DOI:10.2174/157018012800673010

Reference yield:

→ glycodehydrocholic acid (13215-48-0,137942-25-7,3415-45-0)

Guidance literature:

With bromine; sodium hydrogencarbonate;

upstream raw materials:

tributyl-amine

dehydrocholic acid

glycine

(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2,5-dioxo-pyrrolidin-1-yl ester

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