112849-17-9

Basic information

• Product Name: (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one
• Synonyms: 1(S),3(R).20(R)-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-20-(3'-CYCLOPROPYL-3'-OXYPROP-1'(E)-ENYL)-9,10-SECOPREGNA-5(E),10(19)TRIENE;2-Penten-1-one, 4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-, (2E,4R)-;(1a,3b,5E,7E,22E)-24-Cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-one;(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one;(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one;(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene;InterMediate G6/(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahyd
• CAS NO: 112849-17-9
• Molecular Formula: C₃₉H₆₆O₃Si₂
• Molecular Weight: 639.11
• Mol File: 112849-17-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 628.2 °C at 760 mmHg
• Flash Point: 277.1 °C
• Appearance: White crystal
• Density: 0.98
• Refractive Index: 1.511
• Storage Temp.: Amber Vial, -86°C Freezer, Under inert atmosphere
• Solubility: Chloroform, Dichloromethane, Ethyl Acetate
• CAS DataBase Reference: (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one(112849-17-9)
• EPA Substance Registry System: (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one(112849-17-9)

Safety Data

• Hazardous Substances Data: 112849-17-9(Hazardous Substances Data)

Usage

Description

(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one is a complex organic compound with a unique molecular structure. It is characterized by its white solid appearance and is an intermediate in the preparation of Vitamin D analogs.

Uses

Used in Pharmaceutical Industry:
(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one is used as an intermediate in the synthesis of Vitamin D analogs, which have potential applications in the development of drugs for various health conditions.
Used in Chemical Research:
As a complex organic compound, (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one can also be used in chemical research for studying its properties, reactivity, and potential applications in various chemical processes.

InChI:InChI=1/C39H66O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-34,36H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20+/t27-,32-,33-,34+,36+,39-/m1/s1

Upstream product

• 765-43-5 Cyclopropyl methyl ketone 
• 18162-48-6 tert-butyldimethylsilyl chloride 
• 7691-76-1 1-cyclopropyl-2-(triphenyl-λ⁵-phosphanylidene)ethan-1-one 
• 112828-13-4 2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionaldehyde 
• 112828-13-4 (5E,7E)-(1S,3R,20S)-1,3-bis<<(1,1-dimethylethyl)dimethylsilyl>oxy>-20-methyl-9,10-secopregna-5,7,10(19)-trien-21-al 
• 67257-33-4 diethyl (2-cyclopropyl-2-oxoethyl)phosphonate 
• 87417-26-3 (3S,6S)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂-adduct 
• 87417-26-3 (3S,6R)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂ adduct 
• 87422-13-7 3(S)-tert-butyldimethylsilyloxy-20(S)-formyl-9,10-secoprega-5,7(E),10⁽¹⁹⁾-triene 
• 87407-47-4 3(S)-tert-butyldimethylsilyloxy-20(S)-formyl-9,10-secoprega-5,7(E),10⁽¹⁹⁾-triene 
• 247900-07-8 (7Z)-Vitamin D₂ 
• 112849-15-7 (2-cyclopropyl-2-oxoethyl) (triphenyl)phosphonium bromide 
• 112849-18-0 20(R),3(R)-(tert-butyldimethylsilyloxy)-20-(3'-cyclopropyl-3'-oxoprop-1'(E)-enyl)-9,10-secopregna-5(Z),7(E),10⁽¹⁹⁾-triene 
• 87680-65-7 (S)-3-[(1R,3aS,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ⁶-benzo[c]thiophen-5-ol 

Downstream Products

• 112849-24-8 (1S,3R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3'ξ-cyclopropyl-3'-hydroxypropyl)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 112827-99-3 20(R)-(3'(R)-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-1(S),3(R)-dihydroxy-9,10-secopregna-5(Z),7(E),10⁽¹⁹⁾-triene 
• 112965-21-6 calcipotriene 
• 112910-41-5 (1S,3R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3'(R)-cycloprop-1'(E)-enyl)-9,10-secopregna-5(Z),7(E),10⁽¹⁹⁾-triene 
• 112875-61-3 (1S,3R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3'(S)-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-9,10-secopregna-5(Z),7(E),10⁽¹⁹⁾-triene 
• 115540-29-9 (1S,3R,1'S,2'S,3'R)-(3'-cyclopropyl-1',2'-epoxy-3'-hydroxypropyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 115540-29-9 (1S,3R,1'S,2'S,3'S)-(3'-cyclopropyl-1',2'-epoxy-3'-hydroxypropyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 115540-29-9 (1S,3R,1'R,2'R,3'R)-(3'-cyclopropyl-1',2'-epoxy-3'-hydroxypropyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 115540-29-9 (1S,3R,1'R,2'R,3'S)-(3'-cyclopropyl-1',2'-epoxy-3'-hydroxypropyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 864755-52-2 1(S),3(R)-dihydroxy-20(R)-(3'-cyclopropyl-3'-oxoprop-1'(E)-enyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 112849-26-0 (1S,3R,3'R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3'-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 
• 112849-27-1 (1S,3R,3'S)-bis(tert-butyldimethylsilyloxy)-20(R)-(3'-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-9,10-secopregna-5(E),7(E),10⁽¹⁹⁾-triene 

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