tert-Butyl-dimethyl-{3-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5-yloxy}-silane

Base Information

• Chemical Name: tert-Butyl-dimethyl-{3-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5-yloxy}-silane
• CAS No.: 170081-43-3
• Molecular Formula: C34H58 O3 S Si
• Molecular Weight: 574.97
• Mol file: 170081-43-3.mol

Synonyms:Silane,(1,1-dimethylethyl)dimethyl[[(3b,7E,22E)-6,19-sulfonyl-9,10-secoergosta-5(10),7,22-trien-3-yl]oxy]- (9CI)

Chemical Property of tert-Butyl-dimethyl-{3-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5-yloxy}-silane

Chemical Property:

• Refractive Index: 1.525
• Boiling Point: 624.0±55.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 10.36230
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Dichloromethane

Purity/Quality:

(1,1-Dimethylethyl)dimethyl[[(3β,7E,22E)-6,19-sulfonyl-9,10-secoergosta-5(10),7,22-trien-3-yl]oxy]-silane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (1,1-Dimethylethyl)dimethyl[[(3β,7E,22E)-6,19-sulfonyl-9,10-secoergosta-5(10),7,22-trien-3-yl]oxy]-silane is an intermediate in synthesizing ZK 159222 (Z485800), a vitamin D receptor antagonist. It is a derivative of Vitamin D3 (V676045).

Technology Process of tert-Butyl-dimethyl-{3-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5-yloxy}-silane

There total 4 articles about tert-Butyl-dimethyl-{3-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidenemethyl]-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2l6-benzo[c]thiophen-5-yloxy}-silane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

Calciferol (50-14-6) + tert-butyldimethylsilyl chloride (18162-48-6) → SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene (170081-43-3,251445-16-6)

Guidance literature:

Calciferol; With sulfur dioxide; In water; toluene; at 20 ℃; for 12h;

tert-butyldimethylsilyl chloride; With 1H-imidazole; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2021.114005

Reference yield:

tert-butyldimethylsilyl chloride (18162-48-6) + (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 (87680-65-7) → SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene (170081-43-3,251445-16-6)

Guidance literature:

With 1H-imidazole; Yield given; Ambient temperature;

DOI:10.1021/jo00058a034

Reference yield:

3(S)-tert-butyldimethylsilyloxy-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene (104846-62-0) → SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene (170081-43-3,251445-16-6)

Guidance literature:

With sulfur dioxide; In dichloromethane; water; at 20 ℃; for 2h;

upstream raw materials:

tert-butyldimethylsilyl chloride

(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

Calciferol

3(S)-tert-butyldimethylsilyloxy-9,10-secoergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene

Downstream raw materials:

3(S)-tert-butyldimethylsilyloxy-20(S)-formyl-9,10-secoprega-5,7(E),10⁽¹⁹⁾-triene

1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol

3(R)-(tert-butyldimethylsilyloxy)-20(S)-formyl-9,10-secopregna-5(Z),7(E),10⁽¹⁹⁾-triene

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