1,2,4,5-Tetrahydrotestolactone

Base Information

• Chemical Name: 1,2,4,5-Tetrahydrotestolactone
• CAS No.: 7801-32-3
• Molecular Formula: C19H28O3
• Molecular Weight: 304.43
• NSC Number: 34417
• DSSTox Substance ID: DTXSID40228660
• Nikkaji Number: J1.061.678F
• Wikidata: Q27148493
• Mol file: 7801-32-3.mol

Synonyms:1,2,4,5-tetrahydrotestolactone

Chemical Property of 1,2,4,5-Tetrahydrotestolactone

Chemical Property:

• Vapor Pressure: 1.65E-08mmHg at 25°C
• Melting Point: 166 - 170°C
• Boiling Point: 456.2°C at 760 mmHg
• Flash Point: 200.5°C
• PSA: 43.37000
• Density: 1.103g/cm³
• LogP: 3.89380
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 304.20384475
• Heavy Atom Count: 22
• Complexity: 513

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC(=O)O4)C
• Isomeric SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C
• Uses: 1,2,4,5-Tetrahydrotestolactone is a steroid with estrogenic properties. A steroid lactone.

Technology Process of 1,2,4,5-Tetrahydrotestolactone

There total 3 articles about 1,2,4,5-Tetrahydrotestolactone 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: 44.0%

2-Oxo-propionic acid (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester → Epiandrosterone (481-29-8) + androstanedione (846-46-8) + 17a-oxa-D-homo-5α-androstane-3,17-dione (7801-32-3)

Guidance literature:

With Oxone; edetate disodium; sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃; for 120h;

DOI:10.1021/jo0347011

Reference yield:

cis-androsterone (53-41-8) → androstanedione (846-46-8) + (4aS,4bR,8R,10bR,12aS)-8-hydroxy-12a-methylhexadecahydro-2H-naphtho[2,1-f]chromen-2-one (4363-08-0) + 17a-oxa-D-homo-5α-androstane-3,17-dione (7801-32-3)

Guidance literature:

With penicillium vinaceum AM₁₁₀; for 72h; Time; Enzymatic reaction;

DOI:10.3390/molecules25184226

Reference yield:

Epiandrosterone (481-29-8) → androstanedione (846-46-8) + 3β-hydroxy-17α-oxa-D-homo-5α-androstan-17-one (2061-71-4) + 17a-oxa-D-homo-5α-androstane-3,17-dione (7801-32-3)

Guidance literature:

With penicillium vinaceum AM₁₁₀; for 192h; Time; Enzymatic reaction;

DOI:10.3390/molecules25184226

upstream raw materials:

cis-androsterone

Epiandrosterone

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