CID 13828633

Base Information

• Chemical Name: CID 13828633
• CAS No.: 633-31-8
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.726
• European Community (EC) Number: 211-191-7
• Mol file: 633-31-8.mol

Synonyms:cholesteryl n-propionate

Chemical Property of CID 13828633

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.37E-10mmHg at 25°C
• Melting Point: 97-100 °C
• Refractive Index: -40 ° (C=2, CHCl3)
• Boiling Point: 505.7 °C at 760 mmHg
• Flash Point: 256.6 °C
• PSA: 26.30000
• Density: 0.99g/cm³
• LogP: 8.34960
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 708

Purity/Quality:

99% ^*data from raw suppliers

CHOLESTERYLPROPIONATE ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCC(=O)OC1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

Technology Process of CID 13828633

There total 8 articles about CID 13828633 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: 91.3%

cholesterol (57-88-5) + propionic acid (802294-64-0,79-09-4) → cholesteryl propionate (633-31-8,57759-46-3,137036-78-3)

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) + propionyl chloride (79-03-8) → cholesteryl propionate (633-31-8,57759-46-3,137036-78-3)

Guidance literature:

With pyridine; at 80 ℃;

Reference yield:

cholesterol (57-88-5) + propionic acid anhydride (123-62-6) → cholesteryl propionate (633-31-8,57759-46-3,137036-78-3)

Guidance literature:

at 100 ℃;

DOI:10.1080/00304940209355745

upstream raw materials:

dipropionamide

cholesterol

propionyl chloride

3-chloro-cholest-5-ene

Refernces

• 1、 Ahmad,Ahamad,Ansari,Kardash. "Oxidation of steroidal compounds with Mn(III) acetate". . p. 430 - 434. Retrieved 2007/10/02.