17beta-Hydroxy-5alpha-androstane acetate

Base Information

• Chemical Name: 17beta-Hydroxy-5alpha-androstane acetate
• CAS No.: 1236-49-3
• Molecular Formula: C21H34 O2
• Molecular Weight: 318.4935
• NSC Number: 31975
• UNII: 5057C1Z474
• DSSTox Substance ID: DTXSID901283135
• Nikkaji Number: J128.945D
• Wikidata: Q27148899
• Mol file: 1236-49-3.mol

Synonyms:17beta-Hydroxy-5alpha-androstane acetate;1236-49-3;17.beta.-Hydroxy-5.alpha.-androstane acetate;5.alpha.-Androstan-17.beta.-ol, acetate;17beta-Acetoxy-5alpha-androstane;UNII-5057C1Z474;17.beta.-Acetoxy-5.alpha.-androstane;5057C1Z474;Androstan-17-ol, acetate, (5.alpha.,17.beta.)-;NSC 31975;NSC-31975;CHEBI:79766;DTXSID901283135;NSC31975;(5alpha)-androstan-17beta-yl acetate;[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;Androstan-17-ol, 17-acetate, (5alpha,17beta)-;Androstan-17-yl acetate, (5.alpha.,17.beta.)-;Q27148899;ANDROSTAN-17-OL, 17-ACETATE, (5.ALPHA.,17.BETA.)-

Chemical Property of 17beta-Hydroxy-5alpha-androstane acetate

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Boiling Point: 364.9°Cat760mmHg
• Flash Point: 184.5°C
• PSA: 26.30000
• Density: 1.04g/cm³
• LogP: 5.35090
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 486

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C

Technology Process of 17beta-Hydroxy-5alpha-androstane acetate

There total 29 articles about 17beta-Hydroxy-5alpha-androstane acetate 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: 75.0%

allopregnan-20-one (848-62-4) → 5α-androstan-17β-acetate (1236-49-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; ammonium cerium(IV) nitrate; In dichloromethane; at 20 ℃;

Reference yield:

testosterone enol diacetate (1778-93-4) → 5α-androstan-17β-acetate (1236-49-3)

Guidance literature:

With 1,4-dioxane; platinum; Hydrogenation;

Reference yield:

(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate (981-64-6) → 5α-androstan-17β-acetate (1236-49-3)

Guidance literature:

With 1,4-dioxane; platinum; Hydrogenation;

upstream raw materials:

(17β)-androsta-3,5-dien-17-yl acetate

(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate

testosterone enol diacetate

17β-acetoxy-androst-5-ene

Downstream raw materials:

(5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-ol

Refernces

• 1、 Yamamura,Hirata. "". . p. 2887. Retrieved 1968.
• 2、 Goswami, Papori,Hazarika, Saroj,Das, Archana M.,Chowdhury, Pritish. "Ceric ammonium nitrate (CAN) catalyzed Baeyer-Villiger oxidation of carbonyl compounds, specially 20-oxosteroids". . p. 1275 - 1281. Retrieved 2007/10/03.
• 3、 Permutti,Danieli,Mazur. "Desulphurization of the thioketal of testosterone acetate with deactivated Raney nickel.". . p. 5425 - 5431. Retrieved 2007/10/13.