Testosterone butyrate

Base Information

• Chemical Name: Testosterone butyrate
• CAS No.: 3410-54-6
• Molecular Formula: C23H34 O3
• Molecular Weight: 358.521
• European Community (EC) Number: 222-296-2
• UNII: 9RD3X2793Y
• DSSTox Substance ID: DTXSID40955646
• Nikkaji Number: J205.514G
• Wikipedia: Testosterone_butyrate
• Wikidata: Q27272965
• Mol file: 3410-54-6.mol

Synonyms:Testosterone butyrate;3410-54-6;Testosterone butanoate;Testosterone, butyrate;EINECS 222-296-2;UNII-9RD3X2793Y;17beta-Hydroxyandrost-4-ene-3-one butyrate;9RD3X2793Y;Androst-4-en-3-one, 17-(1-oxobutoxy)-, (17.beta.)-;SCHEMBL11226126;TESTOSTERONE 17-BUTYRATE;DTXSID40955646;17beta-(1-Oxobutoxy)androst-4-en-3-one;Q27272965

Chemical Property of Testosterone butyrate

Chemical Property:

• Refractive Index: 1.5480 (estimate)
• Boiling Point: 467.1°Cat760mmHg
• Flash Point: 201°C
• PSA: 43.37000
• Density: 1.09g/cm³
• LogP: 5.23020
• Water Solubility.: 503.9ug/L(25 oC)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 358.25079494
• Heavy Atom Count: 26
• Complexity: 635

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Technology Process of Testosterone butyrate

There total 7 articles about Testosterone butyrate 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: 87.0%

→ Benzotript (39544-74-6)

Guidance literature:

Reference yield: 78.0%

testosterone (58-22-0) + butyryl chloride (141-75-3) → 3-oxoandrost-4-en-17β-yl butyrate (3410-54-6)

Guidance literature:

With immobilized p-toluenesulfonic acid polymer bound macroporous; In neat (no solvent); at 100 ℃; for 0.0416667h; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.24820/ark.5550190.p011.059

Reference yield:

butanoic acid anhydride (106-31-0) + testosterone (58-22-0) → 3-oxoandrost-4-en-17β-yl butyrate (3410-54-6)

Guidance literature:

With pyridine; at 125 ℃;

DOI:10.1002/hlca.193601901152

upstream raw materials:

butanoic acid anhydride

testosterone

butyric acid-(3β-hydroxy-androsten-(5)-yl-(17β)-ester)

butyryl chloride

Refernces

• 1、 Chen, Cheng,Xiang, Yang,Liu, Ya,Hu, Xiangdong,Yang, Ke-Wu. "Mercaptoacetate thioesters and their hydrolysate mercaptoacetic acids jointly inhibit metallo-β-lactamase L1". supporting information. p. 1172 - 1177. Retrieved 2018/08/01.
• 2、 Burdick, Daniel J.,Marsters Jr., James C.,Aliagas-Martin, Ignacio,Stanley, Mark,Beresini, Maureen,Clark, Kevin,McDowell, Robert S.,Gadek, Thomas R.. "N-Benzoyl amino acids as ICAM/LFA-1 inhibitors. Part 2: Structure-activity relationship of the benzoyl moiety". . p. 2055 - 2059. Retrieved 2007/10/03.