93489-60-2

Basic information

• Product Name: 3-(4-hydroxy-7a-methyloctahydro-1H-inden-1-yl)butanenitrile
• Synonyms: 3-(4-Hydroxy-7a-methyloctahydro-1H-inden-1-yl)butanenitrile
• CAS NO: 93489-60-2
• Molecular Formula: C₁₄H₂₃NO
• Molecular Weight: 221.3385
• Mol File: 93489-60-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 357.4°C at 760 mmHg
• Flash Point: 169.9°C
• Appearance: /
• Density: 1.032g/cm³
• Vapor Pressure: 1.52E-06mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: 3-(4-hydroxy-7a-methyloctahydro-1H-inden-1-yl)butanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-hydroxy-7a-methyloctahydro-1H-inden-1-yl)butanenitrile(93489-60-2)
• EPA Substance Registry System: 3-(4-hydroxy-7a-methyloctahydro-1H-inden-1-yl)butanenitrile(93489-60-2)

Safety Data

• Hazardous Substances Data: 93489-60-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H23NO/c1-10(7-9-15)11-5-6-12-13(16)4-3-8-14(11,12)2/h10-13,16H,3-8H2,1-2H3

Upstream product

• 116535-65-0 (1R,3aR,4S,7aR)-octahydro-1-[(S)-1-iodopropan-2-yl]-7a-methyl-1H-inden-4-ol 
• 66774-80-9 (S)-2-((3R,3aR,7S,7aR)-octahydro-7-hydroxy-3a-methyl-1H-inden-3-yl)propyl 4-methylbenzenesulfonate 
• 151-50-8 potassium cyanide 
• 300344-37-0 (8S,20R)-des-A,B-20-(cyanomethyl)-8β-[(triethylsilyl)oxy]pregnane 
• 64190-52-9 (8S,20S)-de-A,B-20-(hydroxymethyl)pregnan-8-ol 
• 143-33-9 sodium cyanide 

Downstream Products

• 1299471-39-8 diethyl [(1S,3R,5Z,7E)-1,3-dihydroxy-9,10-secochola-5,7,10⁽¹⁹⁾-trien-23-yn-24-yl]phosphonate 
• 1299471-38-7 diethyl [(1S,3R,5Z,7E)-1,3-bis[(1,1-dimethylethyl)dimethylsililoxy]-9,10-secochola-5,7,10⁽¹⁹⁾-trien-23-yn-24-yl]phosphonate 
• 66774-84-3 de-A,B-25-hydroxycholestan-8β-ol 
• 188949-02-2 1α-[(tert-butyldimethylsilyl)oxy]-24R-[(methoxymethyl)oxy]-vitamin D₃ tert-butyldimethylsilyl ether 
• 188949-01-1 1α-[(tert-butyldimethylsilyl)oxy]-24R-[(methoxymethyl)oxy]-previtamin D₃ tert-butyldimethylsilyl ether 
• 188948-95-0 (24R)-1α-[(tert-butyldimethylsilyl)oxy]-6,7-didehydro-24-[(methoxymethyl)oxy]-previtamin D₃ tert-butyldimethylsilyl ether 
• 57333-96-7 tacalcitol 
• 308123-39-9 Toluene-4-sulfonic acid (R)-5-hydroxy-2-[(S)-1-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-octahydro-inden-1-yl)-ethyl]-5-methyl-hexyl ester 
• 308123-40-2 Toluene-4-sulfonic acid (S)-5-hydroxy-2-[(S)-1-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-octahydro-inden-1-yl)-ethyl]-5-methyl-hexyl ester 
• 386743-53-9 Toluene-4-sulfonic acid (R)-2-[(S)-1-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-octahydro-inden-1-yl)-ethyl]-5-methyl-5-triethylsilanyloxy-hexyl ester 
• 386743-52-8 Toluene-4-sulfonic acid (S)-2-[(S)-1-((1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-octahydro-inden-1-yl)-ethyl]-5-methyl-5-triethylsilanyloxy-hexyl ester 
• 891496-24-5 (E)-(R)-7-{(1R,3aS,7aR)-4-[2-[3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-2,2-dimethyl-oct-4-en-3-one 
• 898269-68-6 (R)-3-{(1R,3aS,7aR)-4-[2-[3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-butyronitrile 
• 898554-63-7 (R)-3-{(1R,3aS,7aR)-4-[2-[3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-butyraldehyde 

Relevant articles and documents

Introduction of fluorine atoms to vitamin D3 side-chain and synthesis of 24,24-difluoro-25-hydroxyvitamin D3 　

During our ongoing studies of vitamin D, we focused on the vitamin D3 side-chain 24-position, which is the major metabolic site of human CYP24A1. In order to inhibit the metabolism of vitamin D3, 24,24-difluorovitamin D3analogues are important candidates. In this paper, we report the practical introduction of the difluoro-unit to the 24-position to synthesize 24,24-difluoro-CD ring (1) and 24,24-difluoro-25-hydroxyvitamin D3 (2).

2-Methylene-19-nor-(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone and 2-methylene-19-nor-(23R)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone

Compounds of formula 1A and 1B are provided where X1 and X2 are independently selected from H or hydroxy protecting groups. Such compounds may be used in preparing pharmaceutical compositions and are useful in treating a variety of b

An efficient stereoselective synthesis of 1α,24(R)-dihydroxyvitamin D3 by the dienyne route

1α,24(R)-Dihydroxyvitamin D3 (5e) was synthesized. The key step in the preparation of the side-chain was opening of the chiral epoxide 10 by the α-anion of the nitrile 9. The triene system was synthesized by the dienyne route.