22-Dehydrocholesterol

Base Information

Chemical Name:22-Dehydrocholesterol
CAS No.:34347-28-9
Deprecated CAS:566-89-2,6810-14-6,70755-51-0
Molecular Formula:C27H44 O
Molecular Weight:384.64
Hs Code.:
DSSTox Substance ID:DTXSID40187920
Nikkaji Number:J83.245F,J83.523D
Wikidata:Q76294376
Metabolomics Workbench ID:34401
ChEMBL ID:CHEMBL1836651

Synonyms:22-dehydrocholesterol;5,22-cholestadien-3beta-ol;5,22-cholestadien-3beta-ol, (3beta)-(22Z)-isomer;delta 5,22-cholestadien-3beta-ol

Suppliers and Price of 22-Dehydrocholesterol

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

American Custom Chemicals Corporation
20E-DEHYDROCHOLESTEROL 95.00%
5MG
$ 504.70

Total 7 raw suppliers

Chemical Property of 22-Dehydrocholesterol

Chemical Property:

Vapor Pressure:3.18E-11mmHg at 25°C
Melting Point:133.5-134.0 °C
Boiling Point:479.9°Cat760mmHg
PKA:15.03±0.70(Predicted)
Flash Point:208.3°C
PSA：20.23000
Density:0.99g/cm³
LogP:7.16470
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:384.339216023
Heavy Atom Count:28
Complexity:630

Purity/Quality:

99% ^*data from raw suppliers

20E-DEHYDROCHOLESTEROL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 22-Dehydrocholesterol

There total 24 articles about 22-Dehydrocholesterol 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: 90.6%

: 107-84-6
1-chloro-3-methylbutane

: 53906-49-3
3β-ol-23,24-bisnor-chol-5-en-22-al hemihydrochloride

: 26033-10-3,34347-28-9,130061-62-0,92218-20-7,136897-21-7,137760-64-6,70755-51-0,566-89-2
E/Z-cholesta-5,22-dien-3β-ol

Guidance literature:: 1-chloro-3-methylbutane; With Triphenylphosphine oxide; In toluene; for 3h; Reflux;

With potassium tert-butylate; In toluene; for 0.5h;

3β-ol-23,24-bisnor-chol-5-en-22-al hemihydrochloride; In toluene; for 4h; Time; Reflux;

Reference yield: 80.0%

: C₂₇H₄₂O

: 26033-10-3,34347-28-9,130061-62-0,92218-20-7,136897-21-7,137760-64-6,70755-51-0,566-89-2
E/Z-cholesta-5,22-dien-3β-ol

Guidance literature:: With sodium tetrahydroborate; ethanol; for 2h;

Reference yield:

: 80907-92-2
(22E,25R,S)-26-(dimethylamino)cholesta-5,22-dien-3β-ol

: 34347-28-9,136897-21-7,137760-64-6,70755-51-0,566-89-2
22-dehydrocholesterol

Guidance literature:: Multi-step reaction with 3 steps

1: 2.1 g / 30percent H₂O₂ / methanol / Heating

2: 67 percent / Ba(OH)2*8H₂O / pyridine / 12 h / 105 °C

3: H₂ / Unichema Prikat 9906 Ni / ethyl acetate

With barium dihydroxide; hydrogen; dihydrogen peroxide; Unichema Prikat 9906 Ni; In pyridine; methanol; ethyl acetate;
DOI:10.1021/jo00348a023