5alpha-Pregnan-20-one

Base Information

Chemical Name:5alpha-Pregnan-20-one
CAS No.:848-62-4
Molecular Formula:C21H34 O
Molecular Weight:302.5
Hs Code.:
DSSTox Substance ID:DTXSID20473277
Nikkaji Number:J121.674K
Wikidata:Q82302587
Mol file:848-62-4.mol

Synonyms:pregnan-20-one;pregnane-20-one;pregnane-20-one, (5alpha)-isomer;pregnane-20-one, (5beta)-isomer

Suppliers and Price of 5alpha-Pregnan-20-one

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 4 raw suppliers

Chemical Property of 5alpha-Pregnan-20-one

Chemical Property:

PSA：17.07000
LogP:5.62440
XLogP3:6.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:302.260965704
Heavy Atom Count:22
Complexity:469

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Isomeric SMILES:CC(=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 5alpha-Pregnan-20-one

There total 17 articles about 5alpha-Pregnan-20-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: 99.0%

: 2426-34-8,42723-55-7,42723-56-8,42723-57-9,57968-14-6,73284-89-6
dl-Δ¹-5β-pregnen-20-one

: 848-62-4,4729-67-3,7704-90-7,32695-80-0,42723-58-0,72905-00-1
dl-5β-pregnan-20-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; for 0.75h; Ambient temperature; atmospheric pressure;
DOI:10.1021/ja00522a060

Reference yield:

: 67-66-3,8013-54-5
chloroform

: 20-benzhydrylidene-5α-pregnane

: 119-61-9
benzophenone

: 848-62-4
allopregnan-20-one

Guidance literature:: Ozonolyse;

Reference yield:

: 42723-36-4,42723-37-5,43011-31-0,61690-50-4
[3-(7-Methyl-1,4-dithia-spiro[4.5]dec-6-en-8-yl)-propyl]-triphenyl-phosphonium; iodide

: 848-62-4,4729-67-3,7704-90-7,32695-80-0,42723-58-0,72905-00-1
d-5β-pregnan-20-one

Guidance literature:: Multi-step reaction with 5 steps

1: phenyllithium / tetrahydrofuran

2: 41 percent / methyl iodide, water, calcium carbonate / dimethylformamide / 44 h / Ambient temperature

3: sodium bis(2-methoxyethoxy)alumino hydride / tetrahydrofuran / 1 h / 0 °C

4: ethylene carbonate, trifluoroacetic acid / various solvent(s) / 1.5 h / -25 °C

5: 2.) H₂ / 1.) deactivated Raney nickel, 2.) 10percent palladium on carbon / 1.) ethyl acetate, ethanol, room temperature, 20 min, 2.) ethyl acetate, 1 h

With [1,3]-dioxolan-2-one; water; hydrogen; phenyllithium; sodium bis(2-methoxyethoxy)aluminium dihydride; trifluoroacetic acid; calcium carbonate; methyl iodide; palladium on activated charcoal; deactivated Raney nickel; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/ja00521a057