Androst-2-en-17-one

Base Information

• Chemical Name: Androst-2-en-17-one
• CAS No.: 963-75-7
• Molecular Formula: C₁₉H₂₈O
• Molecular Weight: 272.431
• European Community (EC) Number: 213-517-3
• UNII: AHC8P4E4ZL
• DSSTox Substance ID: DTXSID30914585
• Nikkaji Number: J21.002A
• Wikipedia: 5%CE%B1-Androst-2-ene-17-one
• Wikidata: Q76009801
• ChEMBL ID: CHEMBL2058267
• Mol file: 963-75-7.mol

Synonyms:5 alpha-androst-2-en-17-one;5-androst-2-en-17-one;5alpha-androst-2-en-17-one;androst-2-en-17-one

Chemical Property of Androst-2-en-17-one

Chemical Property:

• Appearance/Colour: White or almost white crystalline powder
• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 140-145 °C(lit.)
• Refractive Index: 1.529
• Boiling Point: 371.6 °C at 760 mmHg
• Flash Point: 157.7 °C
• PSA: 17.07000
• Density: 1.032 g/cm³
• LogP: 4.76430
• Storage Temp.: Refrigerator
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 272.214015512
• Heavy Atom Count: 20
• Complexity: 464

Purity/Quality:

99% ^*data from raw suppliers

(5α)-Androst-2-en-17-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4C3(CC=CC4)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC=CC4)C
• Uses: Metabolite of 5α-Androst-16-en-3β-ol

Technology Process of Androst-2-en-17-one

There total 61 articles about Androst-2-en-17-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: 92.0%

C37H58O4S → 5α-androst-2-en-17-one (14639-79-3,24174-20-7,82467-84-3,963-75-7)

Guidance literature:

With 2,6-dimethylpyridine; at 110 - 130 ℃; for 5.5h; Reagent/catalyst;

Reference yield: 90.4%

Epiandrosterone (481-29-8) → 5α-androst-2-en-17-one (14639-79-3,24174-20-7,82467-84-3,963-75-7)

Guidance literature:

silica gel; toluene-4-sulfonic acid; In benzene; for 8h; Heating;

DOI:10.1055/s-1985-31463

Reference yield: 84.0%

3β-tosyloxy-5α-androstan-17-one (10429-07-9) → 5α-androst-2-en-17-one (14639-79-3,24174-20-7,82467-84-3,963-75-7)

Guidance literature:

With aluminum oxide; In benzene; for 2h; Heating;

upstream raw materials:

quinoline

3β-chloro-5α-androstan-17-one

cis-androsterone

3α-chloro-5αH-androstan-17-one

Downstream raw materials:

5alpha-androstan-17-one

(5α,17β)-androst-2-en-17-ol

17α-Ethynyl-5α-androst-2-en-17β-ol

(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol

Refernces

• 1、 Ciceri, Samuele,Colombo, Diego,Ferraboschi, Patrizia,Grisenti, Paride,Iannone, Marco,Mori, Matteo,Meneghetti, Fiorella. "Vecuronium bromide and its advanced intermediates: A crystallographic and spectroscopic study". . . Retrieved 2021/10/25.
• 2、 -. "Preparation method of rocuronium bromide intermediate 5alpha-sterane-2-ene-17-one". Paragraph 0009; 0020-0031. . Retrieved 2020/04/02.