Cholesta-1,4,6-trien-3-one

Base Information Edit

Chemical Name:Cholesta-1,4,6-trien-3-one
CAS No.:3464-60-6
Molecular Formula:C27H40 O
Molecular Weight:380.614
Hs Code.:
European Community (EC) Number:222-416-3
DSSTox Substance ID:DTXSID60956135
Nikkaji Number:J21.003J
Wikidata:Q82936049
ChEMBL ID:CHEMBL262935
Mol file:3464-60-6.mol

Synonyms:1,4,6-cholestatrien-3-one

Suppliers and Price of Cholesta-1,4,6-trien-3-one

Supply Marketing:Edit

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 2 raw suppliers

Chemical Property of Cholesta-1,4,6-trien-3-one Edit

Chemical Property:

Vapor Pressure:6.1E-10mmHg at 25°C
Boiling Point:495.1°Cat760mmHg
Flash Point:209.8°C
PSA：17.07000
Density:1g/cm³
LogP:7.14890
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:8.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:380.307915895
Heavy Atom Count:28
Complexity:710

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=O)C=CC34C)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)C
Uses Cholesta-?1,?4,?6-?trien-?3-?one is an intermediate in synthesizing (3β)-Cholesta-4,6-dien-3-ol (C292700), a Cholesterol (C432501) and a Cholestane (C431700) derivative which has the potential to act as an antiinflammatory and antifungal compound.

Technology Process of Cholesta-1,4,6-trien-3-one

There total 25 articles about Cholesta-1,4,6-trien-3-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: 91.0%

: 57-88-5
cholesterol

: 3464-60-6
cholesta-1,4,6-trien-3-one

Guidance literature:: With allyl diethyl phosphate; palladium 10% on activated carbon; sodium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h; Inert atmosphere; Reflux; Green chemistry;
DOI:10.1016/j.steroids.2012.08.018