7-Dehydrocholesterol benzoate

Base Information Edit

Chemical Name:7-Dehydrocholesterol benzoate
CAS No.:1182-06-5
Molecular Formula:C34H48 O2
Molecular Weight:488.754
Hs Code.:
European Community (EC) Number:214-653-6
NSC Number:18184
UNII:BHY886542N
DSSTox Substance ID:DTXSID30883661
Nikkaji Number:J104.438I
Wikidata:Q27116190
Metabolomics Workbench ID:55004
Mol file:1182-06-5.mol

Synonyms:7-Dehydrocholesterol benzoate;7-Dehydrocholesteryl benzoate;1182-06-5;Cholesta-5,7-dien-3beta-ol benzoate;3beta-Benzoyloxycholesta-5,7-diene;Cholesta-5,7-dien-3-ol, benzoate, (3.beta.)-;.DELTA.5,7-Cholesteryl benzoate;3.beta.-Benzoyloxycholesta-5,7-diene;5,7-Cholestandien-3beta-ol, benzoate;delta5,7-Cholesteryl benzoate;UNII-BHY886542N;Delta(5,7)-cholesteryl benzoate;BHY886542N;EINECS 214-653-6;cholesta-5,7-dien-3beta-yl benzoate;NSC 18184;NSC-18184;Cholesta-5,7-dien-3-beta-yl benzoate;Cholesta-5,7-dien-3.beta.-ol, benzoate;Cholesta-5,7-dien-3-ol, benzoate, (3beta)-;[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate;5, benzoate;Cholesta-5, benzoate;SCHEMBL8614510;3b-benzoyloxycholesta-5,7-diene;CHEBI:34633;DTXSID30883661;NSC18184;Cholesta-5, benzoate, (3.beta.)-;Cholesta-5,7-dien-3-yl benzoate #;Cholesta-5,7-diene-3beta-ol benzoate;Cholesta-5,7-dien-3beta-ol, benzoate;Cholesta-5,7-dien-3.beta.-ol benzoate;5,7-Cholestandien-3.beta.-ol, benzoate;LS-191338;Q27116190

Suppliers and Price of 7-Dehydrocholesterol benzoate

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

American Custom Chemicals Corporation
7-DEHYDROCHOLESTERYL BENZOATE 95.00%
5MG
$ 500.37

Total 8 raw suppliers

Chemical Property of 7-Dehydrocholesterol benzoate Edit

Chemical Property:

Vapor Pressure:3E-13mmHg at 25°C
Boiling Point:575.6°C at 760 mmHg
Flash Point:257.6°C
PSA：26.30000
Density:1.05g/cm³
LogP:9.17350
XLogP3:10.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:488.365430770
Heavy Atom Count:36
Complexity:860

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-DEHYDROCHOLESTERYL BENZOATE 95.00% ^*data from reagent suppliers

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)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C

Technology Process of 7-Dehydrocholesterol benzoate

There total 46 articles about 7-Dehydrocholesterol benzoate 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: 93.0%

: 434-16-2
7-dehydrocholesterol

: 98-88-4
benzoyl chloride

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

Guidance literature:: With pyridine; for 6h; Ambient temperature;
DOI:10.1021/jo00371a025

Reference yield:

: 7-bromocholesterol benzoate

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

Guidance literature:: With 2,4,6-trimethyl-pyridine; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 1.5h; Inert atmosphere;

Reference yield:

: 7-(p-toluenesulfonyl)hydrazone cholesterol 3-benzoate

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

Guidance literature:: 7-(p-toluenesulfonyl)hydrazone cholesterol 3-benzoate; With sodium hydride; In chlorobenzene; at 60 ℃; for 0.5h; Inert atmosphere;

With Propyl gallate; In chlorobenzene; at 125 ℃; for 0.5h; Inert atmosphere;