Methandriol diacetate

Base Information

• Chemical Name: Methandriol diacetate
• CAS No.: 2061-86-1
• Molecular Formula: C24H36 O4
• Molecular Weight: 388.547
• European Community (EC) Number: 218-167-5
• UNII: Z142SX9228
• DSSTox Substance ID: DTXSID80942797
• Nikkaji Number: J298.677I
• Wikipedia: Methandriol_diacetate
• Wikidata: Q27294859
• Mol file: 2061-86-1.mol

Synonyms:Methandriol diacetate;2061-86-1;17-Methylandrost-5-ene-(3beta,17beta)-diol diacetate;Z142SX9228;[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate;SCHEMBL11516261;UNII-Z142SX9228;DTXSID80942797;METHANDRIOL DIACETATE [MI];EINECS 218-167-5;Q27294859;Diacetic acid 17-methylandrost-5-ene-3beta,17beta-diyl ester;(3beta,17beta)-17-Methylandrost-5-ene-3,17-diol 3,17-diacetate;ANDROST-5-ENE-3,17-DIOL, 17-METHYL-, 3,17-DIACETATE, (3.BETA.,17.BETA.)-

Chemical Property of Methandriol diacetate

Chemical Property:

• Melting Point: 145-146°
• Boiling Point: 453.3°Cat760mmHg
• Flash Point: 215.7°C
• PSA: 52.60000
• Density: 1.11g/cm³
• LogP: 5.20270
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 388.26135963
• Heavy Atom Count: 28
• Complexity: 711

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4(C)OC(=O)C)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]4(C)OC(=O)C)C)C

Technology Process of Methandriol diacetate

There total 4 articles about Methandriol diacetate 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:

methylandrostenediol (521-10-8) + acetic anhydride (108-24-7) → 3β.17β-diacetoxy-17α-methyl-androstene-(5) (2061-86-1)

Guidance literature:

DOI:10.1002/hlca.193902201124

Reference yield:

dehydroepiandrosterone (53-43-0) → 3β.17β-diacetoxy-17α-methyl-androstene-(5) (2061-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

With diethyl ether;

DOI:10.1002/hlca.193902201124

Reference yield:

→ 3β.17β-diacetoxy-17α-methyl-androstene-(5) (2061-86-1)

Guidance literature:

3β,17β-Diacetoxy-Verb., 1) C2H5MgBr/Ae., 2) Acetylchlorid;

upstream raw materials:

methylandrostenediol

acetic anhydride

dehydroepiandrosterone