6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-

Base Information

Chemical Name:6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-
CAS No.:113274-91-2
Molecular Formula:C34H49 Cl O2
Molecular Weight:525.2
Hs Code.:
DSSTox Substance ID:DTXSID00921024
Wikidata:Q82893751
Mol file:113274-91-2.mol

Synonyms:3-benzoyloxy-6-chlorocholest-7-ene;3-BOCCE;3beta-benzoyloxy-6alpha-chloro-5alpha-cholest-7-ene

Suppliers and Price of 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-

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 1 raw suppliers

Chemical Property of 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-

Chemical Property:

Vapor Pressure:6.55E-14mmHg at 25°C
Boiling Point:590.3°Cat760mmHg
Flash Point:306°C
PSA：26.30000
Density:1.08g/cm³
LogP:9.47070
XLogP3:10.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:524.3421085
Heavy Atom Count:37
Complexity:843

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC(C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)Cl)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)Cl)C

Technology Process of 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-

There total 4 articles about 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)- 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:

concentrated NH₄ OH: concentrated NH₄ OH

: 1182-06-5
3β-benzoyloxycholesta-5,7-diene

: 113274-91-2
3β-(benzoyloxy)-6α-chloro-5α-cholest-7-ene

Guidance literature:: With pyridine; hydrogenchloride; In CHCl₃ (ethanol-free); water;

Reference yield:

: 1182-06-5
3β-benzoyloxycholesta-5,7-diene

: 113274-91-2
3β-(benzoyloxy)-6α-chloro-5α-cholest-7-ene

: 113274-90-1
3β-(benzoyloxy)-5β-cholesta-6,8(14)-diene

Guidance literature:: With hydrogenchloride; In chloroform; at -62 ℃; for 0.0194444h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00243a021

Reference yield:

: 1182-06-5
3β-benzoyloxycholesta-5,7-diene

: 34227-12-8
(3β,5α)-cholesta-7,14-dien-3-ol benzoate

: 113274-92-3
3β-(benzoyloxy)-5α-cholest-8(14)-en-7α-ol

: 113274-91-2
3β-(benzoyloxy)-6α-chloro-5α-cholest-7-ene

: 113349-57-8
3β-(benzoyloxy)-5β-cholesta-7,14-diene

Guidance literature:: With hydrogenchloride; In dichloromethane; at -70 ℃; for 1.3h; Yield given. Further byproducts given. Yields of byproduct given;
DOI:10.1021/jo00243a021