Pentarane A

Base Information

Chemical Name:Pentarane A
CAS No.:38522-51-9
Molecular Formula:C25H36O2
Molecular Weight:368.5521
Hs Code.:
UNII:UMG87A58PN
DSSTox Substance ID:DTXSID20959389
Nikkaji Number:J418.731H
Wikipedia:Pentarane_A
Wikidata:Q28151293
Mol file:38522-51-9.mol

Synonyms:16alpha,17alpha-cyclohexanoprogesterone;pentarane A

Suppliers and Price of Pentarane A

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 Pentarane A

Chemical Property:

Vapor Pressure:5.42E-10mmHg at 25°C
Boiling Point:496.4°Cat760mmHg
Flash Point:183.7°C
PSA：34.14000
Density:1.09g/cm³
LogP:5.89380
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:368.271530387
Heavy Atom Count:27
Complexity:720

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C12CCCCC1CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C
Isomeric SMILES:CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C

Technology Process of Pentarane A

There total 1 articles about Pentarane A 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:

: 38522-51-9
6b-Acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-indeno[2,1-a]phenanthren-2-one

Guidance literature:: entspr. 3β-Hydroxy-Verb., Cyclohexanon, Al-Isopropylat;
DOI:10.1007/BF00854549

Reference yield:

: 38522-51-9
16α,17α-cyclohexanoprogesterone

: 58212-84-3
6α-methyl-16α,17α-cyclohexanoprogesterone

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / AcONa, POCl₃ / CHCl₃ / 0.75 h / 65 - 70 °C

2: 73 percent / Pd/C, cyclohexene / ethanol / 28 h / Heating

With palladium on activated charcoal; sodium acetate; cyclohexene; trichlorophosphate; In ethanol; chloroform;
DOI:10.1007/BF02496229