17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

Base Information

Chemical Name:17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
CAS No.:20592-38-5
Molecular Formula:C₂₆H₄₀O₃
Molecular Weight:400.602
Hs Code.:
NSC Number:23163
DSSTox Substance ID:DTXSID70942781
Nikkaji Number:J2.793.220G
Wikidata:Q27148919
Mol file:20592-38-5.mol

Synonyms:17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate;20592-38-5;17.beta.-hydroxyandrostan-3-one-17-hexahydrobenzoate;CHEBI:79785;DTXSID70942781;YOVFVQWNQMEMNF-LVYWIKMTSA-N;NSC23163;NSC-23163;3-Oxoandrostan-17-yl cyclohexanecarboxylate;5.alpha.-Androstan-3-one, cyclohexanecarboxylate;Q27148919;17.beta.-Cyclohexylcarbonyloxy-5.alpha.-androstan-3-one;5.alpha.-Androstan-3-one, 17.beta.-hydroxy-, cyclohexanecarboxylate

Suppliers and Price of 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

Chemical Property:

Vapor Pressure:4.17E-10mmHg at 25°C
Boiling Point:499.4°Cat760mmHg
Flash Point:212.7°C
PSA：43.37000
Density:1.09g/cm³
LogP:6.09030
XLogP3:6.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:400.29774513
Heavy Atom Count:29
Complexity:665

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)C5CCCCC5)C
Isomeric SMILES:C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C5CCCCC5)C

Technology Process of 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

There total 2 articles about 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate 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:

: 20592-38-5
17β-cyclohexanecarbonyloxy-5α-androstan-3-one

Guidance literature:: With chromic acid; acetic acid;
DOI:10.1002/hlca.193702001208 DOI:10.1021/ja01215a001

Reference yield:

: 22651-87-2
cyclohexanecarboxylic acid anhydride

: 20592-38-5
17β-cyclohexanecarbonyloxy-5α-androstan-3-one

Guidance literature:: With pyridine; at 100 ℃;

Reference yield:

: 20592-38-5
17β-cyclohexanecarbonyloxy-5α-androstan-3-one

: 2β-Hydroxy-17β-hexahydrobenzoyloxy-5α-androstan

Guidance literature:: Multi-step reaction with 4 steps

1: (i) Br₂, TsOH, aq. HBr, DMF, (ii) Py, (iii) /BRN= 607293/, EtOH, CHCl₃

2: (i) aq. HCl, Et₂O, (ii) aq. KOH

3: Py

4: H₂ / Raney-Ni / ethanol

With pyridine; hydrogen; nickel; In ethanol;
DOI:10.1002/hlca.19620450727