521-13-1

Basic information

• Product Name: 3beta-Hydroxy-5-cholestene 3-butyrate
• Synonyms: CHOLESTERYL N-BUTYRATE;CHOLESTERYL BUTYRATE;CHOLESTERYL BUTANOATE;CHOLESTEROL BUTYRATE;CHOLESTEROL N-BUTYRATE;5-CHOLESTEN-3-BETA-OL N-BUTYRATE;5-CHOLESTEN-3BETA-OL 3-BUTYRATE;3BETA-HYDROXY-5-CHOLESTENE 3-BUTYRATE
• CAS NO: 521-13-1
• Molecular Formula: C₃₁H₅₂O₂
• Molecular Weight: 456.74
• EINECS: 208-304-7
• Product Categories: Cholesteryl Compounds (Liquid Crystals);Functional Materials;Liquid Crystals & Related Compounds;Steroids
• Mol File: 521-13-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 98-100 °C
• Boiling Point: 518 °C at 760 mmHg
• Flash Point: 264.3 °C
• Appearance: white powder
• Density: 0.98 g/cm³
• Vapor Pressure: 7.82E-11mmHg at 25°C
• Refractive Index: -30 ° (C=2, THF)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: 3beta-Hydroxy-5-cholestene 3-butyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 3beta-Hydroxy-5-cholestene 3-butyrate(521-13-1)
• EPA Substance Registry System: 3beta-Hydroxy-5-cholestene 3-butyrate(521-13-1)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 521-13-1(Hazardous Substances Data)

Usage

Chemical Properties

white powder

InChI:InChI=1/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1

Upstream product

• 106-31-0 butanoic acid anhydride 
• 57-88-5 cholesterol 
• 141-75-3 butyryl chloride 
• 107-92-6 butyric acid 
• 910-31-6 3-chloro-cholest-5-ene 
• 80582-34-9 trans-3β-cholest-5-en-3-yl but-2-enoate 
• 57-88-5 cholesterol 

Relevant articles and documents

B-cholesterol-reducingoxidation derivativeand synthesis method and application thereof

The invention provides a B-cholesterol-reducingoxidation derivative. The structural formula of the compound is as shown in the description, wherein, R is CH3 or CH3CH2CH2 or CH3CH2CH2CH2. The B-cholesterol-reducingoxidation derivativecompound can significantly inhibit growth and proliferation of tumor cellsof human breast cancer cells, human ductalbreast cancer cells and human ovarian cancer cells,and can be used as drug intermediates or drugs and applied to manufacturing and use of different drugs.

Cl3CCONH2/PPh3: A versatile reagent for synthesis of esters

Cl3CCONH2/PPh3 was a versatile reagent to convert carboxylic acids into their corresponding acid chlorides. This intermediate was clearly confirmed by spectroscopic methods (IR, 1H, 13C NMR). This one-pot reaction of in situ acid chloride generated with various alcohols successfully furnished the corresponding esters in moderate to excellent yields. Copyright ? Taylor & Francis Group, LLC.