3-Chloro-5-cholestene

Base Information

• Chemical Name: 3-Chloro-5-cholestene
• CAS No.: 96345-96-9
• Molecular Formula: C₂₇H₄₅Cl
• Molecular Weight: 405.107
• European Community (EC) Number: 213-004-4
• Nikkaji Number: J2.473.030A
• Wikipedia: Cholesteryl_chloride

Synonyms:3-Chloro-5-cholestene;910-31-6;Cholesterylchloride;(1R,3aS,3bS,9aR,9bS,11aR)-7-chloro-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-Chlorocholest-5-ene #;SCHEMBL137413;OTVRYZXVVMZHHW-FNOPAARDSA-N;AKOS027320588;96345-96-9;AS-75279;D95347;(1R,3aS,3bS,9aR,9bS,11aR)-7-chloro-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Chemical Property of 3-Chloro-5-cholestene

Chemical Property:

• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 404.3209791
• Heavy Atom Count: 28
• Complexity: 591

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)Cl)C)C

Technology Process of 3-Chloro-5-cholestene

There total 19 articles about 3-Chloro-5-cholestene 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:

cholesterol (57-88-5) → 3,5-cholestadiene (747-90-0) + C27H45Cl5N3OP3 (75267-42-4) + cholesteryl chloride (96345-96-9)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; sodium hydride; In tetrahydrofuran; for 168h;

DOI:10.1021/jo00314a004

Reference yield:

cholesterol (57-88-5) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) → 3-chloro-cholest-5-ene (910-31-6,2863-79-8,96345-96-9)

Guidance literature:

at 20 ℃;

DOI:10.1021/ja01184a056

Reference yield:

tetrachloromethane (56-23-5) + phosphorus pentachloride (10026-13-8,874483-75-7) + dicholesteryl sulfite (50736-01-1) → 3-chloro-cholest-5-ene (910-31-6,2863-79-8,96345-96-9)

Guidance literature:

DOI:10.1021/ja01387a031

upstream raw materials:

pyridine

i-cholesteryl methyl ether

acetyl chloride

ethanol

Downstream raw materials:

3,5-cholestadiene

cholesteryl methyl ether

cholesterol propyl ether

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-3-phenoxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

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