55812-82-3

Basic information

• Product Name: 7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol
• Synonyms: 7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol;(1R,3aR,4S,7aR)-Octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-ol;(1R,3aR,4S,7aR)-Octahydro-7a-Methyl-1-[(1R,2E,4R)-1,4,5-triMethyl-2-hexenyl]-1H-inden-4-ol;(1R,3aR,7aR)-1-((2R,5R,E)-5,6-diMethylhept-3-en-2-yl)-7a-Methyloctahydro-1H-inden-4-ol;7R-Methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4S-ol
• CAS NO: 55812-82-3
• Molecular Formula: C₁₉H₃₄O
• Molecular Weight: 278.47
• Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 55812-82-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 358.997°C at 760 mmHg
• Flash Point: 156.76°C
• Appearance: /
• Density: 0.935g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.498
• Solubility: Dichloromethane, Ether, Ethyl Acetate
• CAS DataBase Reference: 7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(55812-82-3)
• EPA Substance Registry System: 7a-Methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(55812-82-3)

Safety Data

• Hazardous Substances Data: 55812-82-3(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Oil

Uses

Byproduct formed during the preparation of Vitamin D derivatives.

InChI:InChI=1/C19H34O/c1-13(2)14(3)8-9-15(4)16-10-11-17-18(20)7-6-12-19(16,17)5/h8-9,13-18,20H,6-7,10-12H2,1-5H3/b9-8+/t14-,15+,16+,17?,18-,19+/m0/s1

Upstream product

• 100928-00-5 3β-O-(triisopropylsilyl)-7,8-dihydroxy-7,8-dihydrovitamin D2 
• 343969-47-1 (1R,3aR,4R,7aR)-4-{(R)-2-[(3R,5S)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-1-hydroxy-ethyl}-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol 
• 55812-80-1 (1R,3aR,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-one 
• 131852-63-6 (5Z,22E)-(7R)-3β-(tert-butyldimethylsilyloxy)-9,10-seco-8α-ergosta-5,10(19),22-triene-7,8-diol 

Downstream Products

• 144177-03-7 tert-Butyl-dimethyl-[(1R,3aR,4S,7aR)-7a-methyl-1-((E)-(1R,4S)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yloxy]-silane 
• 651734-12-2 20S-Hydroxyvitamin D₃ 
• 1372617-13-4 20,25-dihydroxyvitamin D₃ 
• 766519-68-0 C₁₄H₂₂O₂ 
• 951170-63-1 C₁₄H₂₂O₂ 
• 199798-50-0 acetic acid (3aR,4S,7aR )-1-E-ethyIidene-7a-methyI-octahydroinden-4-yl ester 
• 88803-21-8 <3aR-(1Z,3aα,4β,7aβ)>-1-ethylideneoctahydro-7a-methyl-1H-inden-4-ol acetate 
• 115527-18-9 Benzoic acid (1R,3aR,7aR)-1-[(1S,2S)-5-hydroxy-2-((1R,3R)-3-hydroxy-1-methyl-butoxy)-1,5-dimethyl-hex-3-ynyl]-7a-methyl-octahydro-inden-4-yl ester 
• 115527-18-9 Benzoic acid (1R,3aR,7aR)-1-[(1S,2R)-5-hydroxy-2-((1R,3R)-3-hydroxy-1-methyl-butoxy)-1,5-dimethyl-hex-3-ynyl]-7a-methyl-octahydro-inden-4-yl ester 

Relevant articles and documents

Probing the structural requirements for vitamin D3 inhibition of the hedgehog signaling pathway

A structure-activity relationship study to elucidate the structural basis for hedgehog (Hh) signaling inhibition by vitamin D3 (VD3) was performed. Functional and non-functional regions of VD3 and VD2 were obtained through straightforward synthetic means

Preparation of an A-ring building block for the total synthesis of 1α,25-dihydroxy vitamin D3 and structurally related congeners: Lipase-catalyzed stereoselective esterification of a suitable epoxyalcohol

An useful A-ring building block for the total synthesis of vitamin D3 congeners, compound 7, has been prepared starting from vitamin D2 by a chemo-enzymatic approach that relies on lipase-catalyzed acylation in an organic solvent for the stereoselective step. Copyright (C) 2000 Elsevier Science Ltd.

On the Julia Alkenylation reaction in vitamin D synthesis. Isolation of four geometrical isomers of vitamin D4

Coupling of sulfone 2 and aldehyde 3b using the Julia alkenylation procedure has been reexamined using modern product separation techniques. It was found that vitamin D4 1b and its geometric isomers 10, 11 and 12 are formed in a ratio of 75:10:10:5, respectively. The building blocks 2 and 3b were prepared from vitamin D2. Correlations for the structure assignment of vitamin D stereoisomers by 1H NMR spectroscopy are presented.