38393-04-3

Basic information

• Product Name: 3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one
• Synonyms: 3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one
• CAS NO: 38393-04-3
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.4617
• Mol File: 38393-04-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 459.5°Cat760mmHg
• Flash Point: 195.6°C
• Appearance: /
• Density: 1.11g/cm³
• Vapor Pressure: 2.26E-10mmHg at 25°C
• Refractive Index: 1.565
• CAS DataBase Reference: 3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one(38393-04-3)
• EPA Substance Registry System: 3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one(38393-04-3)

Safety Data

• Hazardous Substances Data: 38393-04-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,9,14-16,18,23H,4-5,7-8,10-12H2,1-3H3/t14-,15+,16-,18-,20-,21+/m0/s1

Upstream product

• 115040-07-8 3α-Hydroxy-5α-pregn-16-en-20-one 3-m-iodobenzoate 
• 1044-90-2 (3β,5α,16α)-16,17-epoxy-3-hydroxypregnan-20-one 
• 96354-44-8 3-Iodo-benzoic acid (3R,5S,8S,9R,10S,13S,14S,16R,17S)-17-acetyl-9-chloro-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-yl ester 
• 96354-43-7 3-Iodo-benzoic acid (3R,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-yl ester 
• 96354-45-9 1-((3R,5S,8S,10S,13S,14S,16R,17S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,10,12,13,14,15,16-tetradecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-17-yl)-ethanone 
• 16161-44-7 3β-tetrahydropyranyloxy-5α-pregna-9(11),16-diene-20-one 
• 1169-20-6 3β-acetoxy-5α-pregn-16-en-20-one 
• 566-61-0 allopregnenolone 

Relevant articles and documents

NONENZYMATIC SYNTHESIS OF CORTICOSTEROIDS AND RELATED COMPOUNDS. I. SYNTHESIS OF 9,11-UNSATURATED STEROIDS BASED ON TIGOGENIN

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Alkylated Steroids. Part 3. The 21-Alkylation of 20-Oxopregnanes and Synthesis of a Novel Anti-inflammatory 16α,17α,21-Trimethyl Steroid (Org 6216)

The development of a 21-alkylation reaction which proceeds via the lithium 20(21)-enolate is described and ats scope demonstrated by the preparation of a variety of 21-alkylpregnane derivatives.Application of this process to 11β-acetoxy-16α,17α-dimethyl-5α-pregnane-3,20-dione (28a) and its 5β-analogue (28b) led to the corresponding 16α,17α,21-trimethyl derivatives.Several routes from these saturated trimethylpregnane-3,20-diones to 11β-hydroxy-16α,17α,21-trimethylpregna-1,4-diene-3,20-dione (Org 6216) were explored.The best method gave Org 6216 in 75percent yield.