Cholesterol Valerate

Base Information

• Chemical Name: Cholesterol Valerate
• CAS No.: 7726-03-6
• Molecular Formula: C32H54 O2
• Molecular Weight: 470.78
• Hs Code.: 38220090
• European Community (EC) Number: 231-773-4
• UNII: WJ4NKG39ZH
• DSSTox Substance ID: DTXSID90998503
• Nikkaji Number: J150.864D
• Wikidata: Q76009996
• Metabolomics Workbench ID: 38333
• Mol file: 7726-03-6.mol

Synonyms:cholesteryl valerate

Chemical Property of Cholesterol Valerate

Chemical Property:

• Vapor Pressure: 2.57E-11mmHg at 25°C
• Melting Point: 90.0 °C
• Refractive Index: -32 ° (C=2, CHCl3)
• Boiling Point: 530°Cat760mmHg
• Flash Point: 271.8°C
• PSA: 26.30000
• Density: 0.98g/cm³
• LogP: 9.12980
• XLogP3: 10.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 470.412380961
• Heavy Atom Count: 34
• Complexity: 737

Purity/Quality:

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

Cholesteryl n-valerate ≥90% (HPLC; detection at 205?nm) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

Technology Process of Cholesterol Valerate

There total 6 articles about Cholesterol Valerate 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: 92.5%

cholesterol (57-88-5) + valeric acid (109-52-4) → cholesteryl n-pentanoate (7726-03-6)

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) + n-valeryl chloride (638-29-9) → cholesteryl n-pentanoate (7726-03-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

cholesterol (57-88-5) + n-valeryl chloride (638-29-9) → cholesteryl n-pentanoate (7726-03-6)

Guidance literature:

With pyridine; at 80 ℃;

upstream raw materials:

pentanoic anhydride

cholesterol

n-valeryl chloride

valeric acid

Refernces

• 1、 Yu, Yun-Long,Bai, Jun-Wei,Zhang, Jun-Hua. "Synthesis and characterization of side-chain cholesterol derivatives based on double bond". experimental part. p. 1 - 6. Retrieved 2012/08/08.