Cholesteryl butyrate

Base Information

• Chemical Name: Cholesteryl butyrate
• CAS No.: 521-13-1
• Molecular Formula: C31H52O2
• Molecular Weight: 456.753
• European Community (EC) Number: 208-304-7
• UNII: 50QA4YCP7F
• DSSTox Substance ID: DTXSID101341216
• Nikkaji Number: J60.879C
• Wikidata: Q27260812
• Mol file: 521-13-1.mol

Synonyms:cholesteryl butanoate;cholesteryl butyrate;cholesterylbutanoate;cholesterylbutyrate

Chemical Property of Cholesteryl butyrate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 7.82E-11mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: -30 ° (C=2, THF)
• Boiling Point: 518 °C at 760 mmHg
• Flash Point: 264.3 °C
• PSA: 26.30000
• Density: 0.98 g/cm³
• LogP: 8.73970
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 456.396730897
• Heavy Atom Count: 33
• Complexity: 722

Purity/Quality:

99.5% ^*data from raw suppliers

CholesterylN-Butyrate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCC(=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 Cholesteryl butyrate

There total 9 articles about Cholesteryl butyrate 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: 91.7%

cholesterol (57-88-5) + butyric acid (107-92-6) → cholesterol butyrate (521-13-1)

Guidance literature:

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

DOI:10.1016/j.molstruc.2012.03.034

Reference yield: 84.0%

trans-3β-cholest-5-en-3-yl but-2-enoate (80582-34-9) → cholesterol butyrate (521-13-1)

Guidance literature:

With samarium(II) iodide tetrahydrofuran; N,N-dimethyl acetamide; tert-butyl alcohol; In tetrahydrofuran; for 0.25h; Ambient temperature;

DOI:10.1246/cl.1991.2117

Reference yield:

cholesterol (57-88-5) + butyryl chloride (141-75-3) → cholesterol butyrate (521-13-1)

Guidance literature:

With picoline; In dichloromethane; for 1h; Reflux;

DOI:10.1080/00397910801979361

upstream raw materials:

butanoic acid anhydride

cholesterol

butyryl chloride

butyric 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.
• 2、 Inanaga, Junji,Sakai, Shino,Handa, Yuichi,Yamaguchi, Masaru,Yokoyama, Yasuo. "Selective Conjugate Reduction of α,β-Unsaturated Esters and Amides via SmI2-Promoted Electron Transfer Process". . p. 2117 - 2118. Retrieved 2007/10/02.