131852-63-6

Basic information

• Product Name: 4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol
• Synonyms: 4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol;(3β,5Z,7R,8α,22E)-3S-tert-Butyldimethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol;(3β,5Z,7R,8α,22E)-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-9,10-secoergosta-5,10(19),22-triene-7,8-diol;(S)-4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol
• CAS NO: 131852-63-6
• Molecular Formula: C₃₄H₆₀O₃Si
• Molecular Weight: 544.92
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 131852-63-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 578.3±45.0 °C(Predicted)
• Appearance: /
• Density: 0.99±0.1 g/cm3(Predicted)
• Refractive Index: 1.515
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• PKA: 14.13±0.60(Predicted)
• CAS DataBase Reference: 4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(131852-63-6)
• EPA Substance Registry System: 4-{2-[5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-1-hydroxy-ethyl}-7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ol(131852-63-6)

Safety Data

• Hazardous Substances Data: 131852-63-6(Hazardous Substances Data)

Usage

Chemical Properties

(3β,5Z,7R,8α,22E)-3S-tert-ButyldiMethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol is White Solid

Uses

(3β,5Z,7R,8α,22E)-3S-tert-ButyldiMethylsilyl-9,10-secoergosta-5,10(19),22-triene-7,8-diol is a derivative of Vitamin D, used as an intermediate for the preparation of Vitamin based antibiotics.

InChI:InChI=1/C34H60O3Si/c1-23(2)24(3)13-14-26(5)29-17-18-30-33(29,9)19-12-20-34(30,36)31(35)22-27-21-28(16-15-25(27)4)37-38(10,11)32(6,7)8/h13-14,22-24,26,28-31,35-36H,4,12,15-21H2,1-3,5-11H3/b14-13+,27-22-/t24-,26+,28-,29+,30?,31?,33+,34?/m0/s1

Upstream product

• 50-14-6 Calciferol 
• 18162-48-6 tert-butyldimethylsilyl chloride 
• 84985-78-4 (4R,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-4-((R,Z)-1-hydroxy-2-((S)-5-hydroxy-2-methylenecyclohexylidene)ethyl)-7a-methyloctahydro-1H-inden-4-ol 

Downstream Products

• 1372617-13-4 20,25-dihydroxyvitamin D₃ 
• 651734-12-2 20S-Hydroxyvitamin D₃ 
• 245433-13-0 (3R,3aR)-3a-methyl-7-phenylsulfonyl-3-<(1R,4S)-1,4,5-trimethyl-hexyl>-2,3,3a,4,5,6-hexahydro-1H-indene 
• 245433-10-7 (3R,3aR)-3a-methyl-7-phenylsulfanyl-3-<(1R,4S)-1,4,5-trimethyl-hexyl>-2,3,3a,4,5,6-hexahydro-1H-indene 
• 71830-70-1 (1R,3aR,4S,7aR)-4-benzenesulfonyl-7a-methyl-1-<(1R,4S)-1,4,5-trimethyl-hexyl>-octahydroindene 
• 33813-75-1 (1R,3aR,4S,7aR)-7a-methyl-1-<(1R,4S)-1,4,5-trimethylhexyl>-octahydro-1H-inden-4-ol 
• 58322-11-5 (1R,3aR,7aR,1'R,4'S)-5,6,7,7a-tetrahydro-7a-methyl-1-(1',4',5'-trimethylhexyl)-3aH-indan-4-one 
• 245115-89-3 (Z,S)-2-[2-[5-(tert-Butyldimethylsilyloxy)-2-methylenecyclohexylidene]ethylsulfanyl]benzothiazole 
• 96688-64-1 (2Z)-<(5S)-5-(tert-butyldimethylsilyloxy)-2-methylene-cyclohexylidene>acetaldehyde 
• 247900-07-8 (7Z)-Vitamin D₂ 

Relevant articles and documents

Chemical synthesis, biological activities and action on nuclear receptors of 20S(OH)D3, 20S,25(OH)2D3, 20S,23S(OH)2D3 and 20S,23R(OH)2D3

New and more efficient routes of chemical synthesis of vitamin D3 (D3) hydroxy (OH) metabolites, including 20S(OH)D3, 20S,23S(OH)2D3 and 20S,25(OH)2D3, that are endogenously prod

The modified Julia olefination in vitamin D2 synthesis

A partial synthesis of vitamin D2 employing fragments derived from a new improved degradation procedure is described. The 7,8-double bond of the vitamin D triene system was synthesised via the modified Julia olefination. The new procedure is more efficient than the classical Julia olefination.