17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one

Base Information

• Chemical Name: 17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one
• CAS No.: 40996-87-0
• Molecular Formula: C20H28O3
• Molecular Weight: 316.441
• European Community (EC) Number: 255-171-6
• Mol file: 40996-87-0.mol

Synonyms:40996-87-0;17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one;EINECS 255-171-6;(2E,8R,9S,10R,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Chemical Property of 17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one

Chemical Property:

• Melting Point: 165.0-165.5 °C
• Boiling Point: 488.3°Cat760mmHg
• PKA: 5.08±0.70(Predicted)
• Flash Point: 263.2°C
• PSA: 17.07000
• Density: 1.19g/cm³
• LogP: 3.75800
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 316.20384475
• Heavy Atom Count: 23
• Complexity: 604

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)C(=CO)CC34C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)/C(=C/O)/C[C@]34C

Technology Process of 17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one

There total 2 articles about 17beta-Hydroxy-2-(hydroxymethylene)androst-4-ene-3-one 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:

→ 2-(Hydroxymethylen)testosteron (4223-39-6,40996-87-0,131831-23-7)

Guidance literature:

Testosteron, Ameisensaeure-ethylester;

Reference yield:

→ 2-Hydroxymethylen-17β-hydroxy-9β,10α-androst-4-en-3-on (4223-39-6,40996-87-0,131831-23-7)

Guidance literature:

9β,10α-Testosteron, MeONa/Ethylformat;

Reference yield:

2-formyltestosterone (40996-87-0) → 17β-hydroxy-4-androsteno[2,3-d]isoxazole (60413-79-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; Heating;

DOI:10.1021/jm00337a001

Downstream raw materials:

17β-hydroxy-4-androsteno[2,3-d]isoxazole

2-methylene-17β-hydroxyandrost-4-en-3-one

17β-<(4-fluorobenzoyl)oxy>-2α-<(4-fluorobenzoyl)oxymethyl>-4-androsten-3-one

3-cyclohexyl-propionic acid androst-4-eno[2,3-d]isoxazol-17β-yl ester

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