71496-99-6

Basic information

• Product Name: 7-oxocholest-5-en-3-yl acetate
• CAS NO: 71496-99-6
• Molecular Formula: C₂₉H₄₆O₃
• Molecular Weight: 442.6737
• Mol File: 71496-99-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 526.9°C at 760 mmHg
• Flash Point: 220.9°C
• Density: 1.03g/cm³
• Vapor Pressure: 3.43E-11mmHg at 25°C
• Refractive Index: 1.52
• CAS DataBase Reference: 7-oxocholest-5-en-3-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 7-oxocholest-5-en-3-yl acetate(71496-99-6)
• EPA Substance Registry System: 7-oxocholest-5-en-3-yl acetate(71496-99-6)

Safety Data

• Hazardous Substances Data: 71496-99-6(Hazardous Substances Data)

Upstream product

• 604-35-3 cholesteryl acetate 
• 604-35-3 3-β-acetoxycholest-5-one 
• 31220-43-6 3β-Acetoxycholest-5-en-7-one oxime 
• 604-35-3 cholest-5-en-3β-yl acetate 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 567-72-6 cholest-3,5-dien-7-one 
• 3839-09-6 3α-5-cyclo-5α-cholestan-6-one 
• 135705-63-4 7-oxo-3-(1'-carbethoxypropan-2'-one)-cholest-5-ene 

Relevant articles and documents

Efficient selective oxidation of organic substrates using pyridinum sulfonate halochromate under solvent-free conditions and microwave irradiation: Experimental and theoretical study

A convenient and rapid method has been developed for the selective oxidation of several types of alcohols to related carbonyl compounds under solvent-free conditions. In this study, the authors report the microwave-assisted selective oxidation of alcohols and a number of organic compounds with pyridinum sulfonate chlorochromate (PSCC) and pyridinum sulfonate fluorochromate (PSFC). The density functional theory calculations were made at B3LYP/6-31G* levels of theory and thermodynamic data supported the proposed mechanism involving formation of a halochromate ester, which showed that PSFC should be a more capable oxidant than PSCC. The oxidation products are easily obtained in short reaction time with good yields.

Allylic and benzylic oxidation reactions with sodium chlorite

Various allylic and benzylic substrates were selectively oxidized to the corresponding enones in good yields using sodium chlorite, either in combination with tert-butyl hydroperoxide in stoichiometric conditions, or associated with N-hydroxyphthalimide as catalyst. These oxidation reactions were effectively and economically performed under mild, transition-metal free conditions and therefore the dual challenge of cost effectiveness and benign nature of the processes was met with.

Syntheses of steroidal nitrimines and pyrazole-dioxides

3β-Acetoxycholest-5-en-7-one oxime (1), its 3β-chloro derivative (2) and cholest-5-en-7-one oxime (3) on treatment with fuming nitric acid afford nitrimines (4-6) and pyrazole-dioxides (7-9) along with ketones (10-12).The structures of these products have been established on the basis of their elemental analyses and spectral data.