25279-63-4

Basic information

• Product Name: [10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate
• Synonyms: 3beta-cholest-5-en-3-ol 3,5-dinitrobenzoate;Cholesterol 3,5-dinitrobenzoate;[10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate;3,5-Dinitrobenzoic acid cholest-5-en-3β-yl ester;Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate);Cholest-5-en-3-ol (3beta)-, 3,5-dinitrobenzoate
• CAS NO: 25279-63-4
• Molecular Formula: C₃₄H₄₈N₂O₆
• Molecular Weight: 580.75
• Mol File: 25279-63-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 649.1 °C at 760 mmHg
• Flash Point: 200.7 °C
• Appearance: /
• Density: 1.17 g/cm³
• Vapor Pressure: 9.87E-17mmHg at 25°C
• Refractive Index: 1.569
• CAS DataBase Reference: [10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: [10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate(25279-63-4)
• EPA Substance Registry System: [10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate(25279-63-4)

Safety Data

• Hazardous Substances Data: 25279-63-4(Hazardous Substances Data)

Usage

General Description

The chemical [10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate is a complex compound with a long, complicated name. It is a type of steroid that has been modified by the addition of a 3,5-dinitrobenzoate group. This modification can potentially alter the compound's physical and chemical properties. Steroids have a wide range of biological activities, and further research may be needed to understand the specific effects and uses of this particular chemical.

InChI:InChI=1/C34H48N2O6/c1-21(2)7-6-8-22(3)29-11-12-30-28-10-9-24-19-27(13-15-33(24,4)31(28)14-16-34(29,30)5)42-32(37)23-17-25(35(38)39)20-26(18-23)36(40)41/h9,17-18,20-22,27-31H,6-8,10-16,19H2,1-5H3

Upstream product

• 57-88-5 cholesterol 
• 99-33-2 3,5-dinitrobenoyl chloride 
• 465-54-3 3α,5-cyclo-5α-cholestan-6β-ol 
• 57-88-5 cholesterol 

Downstream Products

• 173027-19-5 (3β)-cholest-5-en-3-yl 3,5-diaminobenzoate 

Relevant articles and documents

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Potassium borohydride reductions of immobilised ketosteroids

Ketosteroids absorbed into various insoluble supports (powdered polyethylene, microporous 2% crosslinked polystyrene beads, macroporous highly crosslinked polystyrene beads, silica gel and alumina) call be reduced using aqueous potassium barohydride. The use of phase transfer catalysts generally raises yields. In the case of 6-ketosteriods the supported reactions often follow a stereochemical course significantly different from that of analogous reactions in solution. This is attributed to the adsorbtion of the steroid onto the inner surfaces of the supports. In these cases reduction of (he ketosteroid by alkoxyborohydrides is substantially suppressed and thus most of the reduction is brought about by BH4- itself, a relatively sterically undemanding reductant. The net result is that whilst reductions of 6-ketosteroids in solution by potassium borohydride typically gives the 69α- and 6β-alcohols in the ratio 15:85, with the supported steroid the ratios can be as high as 90:10.