Etianic acid

Base Information

• Chemical Name: Etianic acid
• CAS No.: 438-08-4
• Molecular Formula: C20H32O2
• Molecular Weight: 304.473
• UNII: 589XJS298D
• DSSTox Substance ID: DTXSID30195938
• Nikkaji Number: J38.854H
• Wikidata: Q27261580
• Mol file: 438-08-4.mol

Synonyms:androstane carboxylic acid;etianic acid

Chemical Property of Etianic acid

Chemical Property:

• Vapor Pressure: 1.99E-08mmHg at 25°C
• Melting Point: 228-229°
• Refractive Index: 1.4980 (estimate)
• Boiling Point: 425.4°Cat760mmHg
• PKA: 4.82±0.60(Predicted)
• Flash Point: 202.8°C
• PSA: 37.30000
• Density: 1.063g/cm³
• LogP: 5.12000
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 304.240230259
• Heavy Atom Count: 22
• Complexity: 472

Purity/Quality:

98%min ^*data from raw suppliers

ETIOCHOLANIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCCC1CCC3C2CCC4(C3CCC4C(=O)O)C
• Isomeric SMILES: C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)O)C

Technology Process of Etianic acid

There total 8 articles about Etianic 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:

androst-4-en-3-one-17β-carboxylic acid (302-97-6) → Etiocholanic acid (438-08-4)

Guidance literature:

Multi-step reaction with 5 steps

1: diethyl ether

2: palladium; methanol / anschliessend Hydrierung an Platin in Methanol und Essigsaeure

3: methanol. KOH-solution

4: chromium (VI)-oxide; acetic acid

5: amalgamated zinc; aqueous hydrochloric acid; acetic acid / Reagens 4: Chlorwasserstoff

With chromium(VI) oxide; hydrogenchloride; methanol; potassium hydroxide; amalgamated zinc; diethyl ether; palladium; acetic acid;

DOI:10.1002/hlca.193702001150

Reference yield:

→ 5α-etianic acid (6247-77-4) + 5α-androstane-carboxylic acid-(17α) (438-08-4,6247-77-4,6247-78-5,6711-24-6,15173-93-0)

Guidance literature:

With ethanol; sodium; at 200 - 210 ℃;

DOI:10.1002/hlca.19460290539

Reference yield:

methyl 3-oxo-5α-androstane-17β-carboxylate (4139-88-2) → 5α-etianic acid (6247-77-4) + 5α-androstane-carboxylic acid-(17α) (438-08-4,6247-77-4,6247-78-5,6711-24-6,15173-93-0)

Guidance literature:

With sodium ethanolate; hydrazine hydrate; at 170 ℃;

DOI:10.1002/hlca.194402701234

upstream raw materials:

3-oxo-21-nor-5β.14β.17βH-pregnanoic acid-(20)-methyl ester

androst-4-en-3-one-17β-carboxylic acid

methanol

methyl-5α-etianate