Cholest-5-en-3-ol (3beta)-, hexanoate

Base Information

• Chemical Name: Cholest-5-en-3-ol (3beta)-, hexanoate
• CAS No.: 1062-96-0
• Molecular Formula: C33H56O2
• Molecular Weight: 484.806
• DSSTox Substance ID: DTXSID10909954
• Mol file: 1062-96-0.mol

Synonyms:Cholest-5-en-3-ol (3.beta.)-, hexanoate;Cholesteryl hexanoate;C33H56O2;C33-H56-O2;CHOLESTERYLCAPROATE;Cholest-5-en-3-yl hexanoate;SCHEMBL12453683;DTXSID10909954;(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl hexanoate;AKOS002793761;CHOLEST-5-EN-3-BETA-YL HEXANOATE;FT-0623745

Chemical Property of Cholest-5-en-3-ol (3beta)-, hexanoate

Chemical Property:

• Vapor Pressure: 8.36E-12mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.511
• Boiling Point: 541.842 °C at 760 mmHg
• Flash Point: 279.217 °C
• PSA: 26.30000
• Density: 0.982 g/cm³
• LogP: 9.51990
• Storage Temp.: −20°C
• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 484.42803102
• Heavy Atom Count: 35
• Complexity: 752

Purity/Quality:

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

Cholesterylhexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

Technology Process of Cholest-5-en-3-ol (3beta)-, hexanoate

There total 5 articles about Cholest-5-en-3-ol (3beta)-, hexanoate 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: 93.4%

cholesterol (57-88-5) + hexanoic acid (142-62-1) → cholesterol caproate (1062-96-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 36h;

DOI:10.1016/j.molstruc.2012.03.034

Reference yield:

cholesterol (57-88-5) + Hexanoyl chloride (142-61-0) → cholesterol caproate (1062-96-0)

Guidance literature:

With pyridine; at 80 ℃;

Reference yield:

n-hexanoic anhydride (2051-49-2) + cholesterol (57-88-5) → cholesterol caproate (1062-96-0)

Guidance literature:

With pyridine; at 100 ℃;

DOI:10.1039/jr9560003733

upstream raw materials:

n-hexanoic anhydride

cholesterol

Hexanoyl chloride

hexanoic acid

Refernces