111594-58-2

Basic information

• Product Name: Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl- (9CI)
• Synonyms: Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl- (9CI);[[(1a,3b,5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane];((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-diMethylhept-3-en-2-yl)-7a-Methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-Methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldiMeth ylsilane);bis[(1,1-diMethylethyl)diMethyl-(9CI);Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)];(3S)-1,3-Bis-O-(tert-Butyldimethylsilyl)-3-hydroxy-5,6-trans-vitamin D2;G2/[[(1a,3b,5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-diMethyle;1H-Indene, 4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1R,3aS,4E,7aR)-
• CAS NO: 111594-58-2
• Molecular Formula: C₄₀H₇₂O₂Si₂
• Molecular Weight: 641.179
• Mol File: 111594-58-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 605.861°C at 760 mmHg
• Flash Point: 273.96°C
• Appearance: /
• Density: 0.93
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.497
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly, Sonicated)
• CAS DataBase Reference: Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl- (9CI)(111594-58-2)
• EPA Substance Registry System: Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl- (9CI)(111594-58-2)

Safety Data

• Hazardous Substances Data: 111594-58-2(Hazardous Substances Data)

Usage

Description

Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl(9CI) is a complex organic compound with a unique molecular structure. It is characterized by its white solid appearance and is known for its role as an intermediate in the synthesis of biologically active vitamin D2 metabolite.

Uses

1. Used in Pharmaceutical Industry:
Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl(9CI) is used as an intermediate in the synthesis of biologically active vitamin D2 metabolite for the pharmaceutical industry. Its role in the synthesis process is crucial for the development of vitamin D2-based medications, which have various applications in treating and preventing health conditions related to vitamin D deficiency.
2. Used in Chemical Research:
In the field of chemical research, Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl(9CI) serves as a valuable compound for studying the properties and behavior of complex organic molecules. Its unique structure allows researchers to explore various aspects of chemical reactions and interactions, contributing to the advancement of knowledge in organic chemistry.
3. Used in Material Science:
Silane, [[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl(9CI) may also find applications in material science, particularly in the development of new materials with specific properties. Its unique molecular structure could potentially be utilized in the creation of novel materials with enhanced characteristics, such as improved stability, reactivity, or biocompatibility.

InChI:InChI=1/C40H72O2Si2/c1-28(2)29(3)19-20-30(4)35-23-24-36-32(18-17-25-40(35,36)12)21-22-33-26-34(41-43(13,14)38(6,7)8)27-37(31(33)5)42-44(15,16)39(9,10)11/h19-22,28-30,34-37H,5,17-18,23-27H2,1-4,6-16H3/b20-19+,32-21+,33-22+/t29-,30+,34+,35+,36-,37-,40+/m0/s1

Upstream product

• 50-14-6 Calciferol 
• 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 
• 18162-48-6 tert-butyldimethylsilyl chloride 
• 170081-43-3 SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene 
• 115540-27-7 1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol 
• 112670-78-7 1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol 
• 74007-20-8 1α-hydroxy-5,6-trans-vitamin D₂ 
• 104846-62-0 (5E)-vitamin D₂ tert-butyldimethylsilyl ether 
• 247900-07-8 (7Z)-Vitamin D₂ 
• 87417-26-3 (3S,6R)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂ adduct 
• 87417-26-3 (3S,6S)-(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂-adduct 
• 112670-78-7 (R)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-3-[2-[(1R,7aR)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-cyclohexanol 
• 104846-62-0 tert-Butyl-dimethyl-{(S)-4-methylene-3-[2-[(1R,7aR)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-cyclohexyloxy}-silane 

Downstream Products

• 111594-59-3 tert-Butyl-dimethyl-{(S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-4-pentyl-cyclohex-3-enyloxy}-silane 
• 170081-46-6 (6S)- and (6R)-SO₂ adducts of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene 
• 112790-51-9 (6R)-SO₂ adduct of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(S)-formyl-9,10-secopregna-5,7(E),10⁽¹⁹⁾-triene 
• 112670-80-1 (6S)-SO₂ adduct of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(S)-formyl-9,10-secopregna-5,7(E),10⁽¹⁹⁾-triene 
• 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 
• 115648-67-4 1(S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-20(R)-formyl-9,10-secopregna-5(E),7(E),10(19)-triene 
• 111594-60-6 (S)-5-[2-[(1R,3aS,7aR)-7a-Methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-4-pentyl-cyclohex-3-enol 
• 112670-82-3 (1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-1-((S)-1-methyl-2-methylselanyl-ethyl)-octahydro-indene 
• 112670-81-2 (1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-1-((S)-1-methyl-2,2-bis-methylselanyl-ethyl)-octahydro-indene 
• 112670-83-4 (1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-1-((1S,2R)-1,5-dimethyl-2-methylselanyl-hexyl)-7a-methyl-octahydro-indene 
• 112670-83-4 (1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-1-((1S,2S)-1,5-dimethyl-2-methylselanyl-hexyl)-7a-methyl-octahydro-indene 
• 184851-16-9 C₄₀H₇₂O₂Si₂ 
• 87649-67-0 doxercalciferol 
• 184851-16-9 1(S),3(R)-bis(tert-butyldimethylsiloxy)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene 

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