Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate

Base Information

• Chemical Name: Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate
• CAS No.: 33985-07-8
• Molecular Formula: C31H48 O3
• Molecular Weight: 468.71
• Nikkaji Number: J422.306C
• Wikidata: Q76010066
• Mol file: 33985-07-8.mol

Synonyms:33985-07-8;Cholesteryl 2-propyn-1-yl carbonate;Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate;[(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl] prop-2-ynyl carbonate;Cholest-5-en-3-ol (3.beta.)-, 2-propynyl carbonate;Cholest-5-en-3-ol (3beta)-, 3-(2-propyn-1-yl carbonate);SCHEMBL11330382;Carbonic acid 3beta-cholesteryl=propargyl

Chemical Property of Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate

Chemical Property:

• Vapor Pressure: 3.98E-12mmHg at 25°C
• Boiling Point: 549.5°Cat760mmHg
• Flash Point: 143.8°C
• PSA: 35.53000
• Density: 1.03g/cm³
• LogP: 8.18280
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 468.36034539
• Heavy Atom Count: 34
• Complexity: 818

Purity/Quality:

98% ^*data from raw suppliers

CHOLESTERYL-2-PROPYN-1-YL CARBONATE 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(CCC3C2CC=C4C3(CCC(C4)OC(=O)OCC#C)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(CC[C@@H](C4)OC(=O)OCC#C)C)C

Technology Process of Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate

There total 1 articles about Cholest-5-en-3-ol (3beta)-, 2-propynyl carbonate 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: 92.7%

Cholesteryl chloroformate (7144-08-3) + propargyl alcohol (107-19-7) → cholesteryl 2-propyn-1-yl carbonate (33985-07-8)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2013.08.047

upstream raw materials:

Cholesteryl chloroformate

propargyl alcohol

Refernces

• 1、 Sheng, Ruilong,Luo, Ting,Li, Hui,Sun, Jingjing,Wang, Zhao,Cao, Amin. "'Click' synthesized sterol-based cationic lipids as gene carriers, and the effect of skeletons and headgroups on gene delivery". . p. 6366 - 6377. Retrieved 2013/10/22.