Testololactone

Base Information

• Chemical Name: Testololactone
• CAS No.: 4416-57-3
• Molecular Formula: C19H26 O3
• Molecular Weight: 302.414
• UNII: 3RQL9VE1NB
• Nikkaji Number: J39.509I
• Wikidata: Q27102810
• Metabolomics Workbench ID: 35342
• Mol file: 4416-57-3.mol

Synonyms:hydrotestolactone;testololactone

Chemical Property of Testololactone

Chemical Property:

• Vapor Pressure: 2.62E-09mmHg at 25°C
• Melting Point: 207-209 °C
• Boiling Point: 478.2°Cat760mmHg
• Flash Point: 211.2°C
• PSA: 43.37000
• Density: 1.15g/cm³
• LogP: 3.81390
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 302.18819469
• Heavy Atom Count: 22
• Complexity: 563

Purity/Quality:

99%min ^*data from raw suppliers

Testololactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC(=O)O4)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C
• Uses: Testololactone, is the derivative of Testolactone (T154800), which is an antineoplastic agent that is a derivative of progesterone and is used to treat advanced stage breast cancer.

Technology Process of Testololactone

There total 7 articles about Testololactone 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: 60.9%

Progesterone (57-83-0) → Androstenedione (63-05-8) + testololactone (4416-57-3)

Guidance literature:

With penicillium citreo-viride A_.C_.C_.C_. 0402; In acetone; at 27.5 ℃; for 120h; Microbiological reaction;

DOI:10.1016/j.steroids.2006.06.005

Reference yield: 52.6%

Progesterone (57-83-0) → testosterone (58-22-0) + Androstenedione (63-05-8) + Androsta-1,4-diene-3,17-dione (897-06-3) + testololactone (4416-57-3)

Guidance literature:

With Fusarium dimerum; In water; at 30 ℃; for 36h; pH=7; Further Variations:; Reagents; pH-values; var. times; Product distribution;

Reference yield: 45.2%

5-androstenediol (521-17-5,1963-03-7,4593-57-1,4593-58-2,14504-94-0,16895-59-3,47122-33-8,64162-67-0,75767-22-5,139973-51-6,151284-19-4) → Androstenedione (63-05-8) + testololactone (4416-57-3)

Guidance literature:

With penicillium citreo-viride A_.C_.C_.C_. 0402; In acetone; at 27.5 ℃; for 120h; Microbiological reaction;

DOI:10.1016/j.steroids.2006.06.005

upstream raw materials:

Progesterone

5-androstenediol

Pregnenolone

dehydroepiandrosterone

Refernces

• 1、 Liu, Hong-Min,Li, Heping,Shan, Lihong,Wu, Jian. "Synthesis of steroidal lactone by penicillium citreo-viride". . p. 931 - 934. Retrieved 2006.
• 2、 Yildirim, Kudret,Uzuner, Ahmet,Gulcuoglu, Emine Yasemin. "Baeyer-villiger oxidation of some steroids by Aspergillus tamarii MRC 72400". experimental part. p. 743 - 754. Retrieved 2011/12/03.