104846-62-0

Basic information

• Product Name: tert-Butyl-dimethyl-(4-methylene-3-{2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyloxy)-silane
• Synonyms: tert-Butyl-dimethyl-(4-methylene-3-{2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyloxy)-silane;1H-Indene,4-[(2Z)-2-[(5S)-5-[[(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: 104846-62-0
• Molecular Formula: C₃₄H₅₈OSi
• Molecular Weight: 510.91
• Mol File: 104846-62-0.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• Refractive Index: 1.505
• CAS DataBase Reference: tert-Butyl-dimethyl-(4-methylene-3-{2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyloxy)-silane(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl-dimethyl-(4-methylene-3-{2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyloxy)-silane(104846-62-0)
• EPA Substance Registry System: tert-Butyl-dimethyl-(4-methylene-3-{2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene}-cyclohexyloxy)-silane(104846-62-0)

Safety Data

• Hazardous Substances Data: 104846-62-0(Hazardous Substances Data)

Usage

Description

tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane is a complex organic compound with a unique molecular structure. It is characterized by a tert-butyl group, two methyl groups, a 4-methylene-3-cyclohexyloxy group, and a 2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene group. tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane is known for its potential applications in various industries due to its unique properties.

Uses

Used in Pharmaceutical Industry:
tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique molecular structure allows it to be a key component in the production of drugs with specific therapeutic properties.
Used in Chemical Synthesis:
In the field of chemical synthesis, tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane serves as a versatile building block for the creation of new compounds with potential applications in various industries. Its reactivity and stability make it a valuable asset in the development of novel chemical products.
Used in Research and Development:
Due to its unique structure and properties, tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane is used in research and development to explore its potential applications and to gain a deeper understanding of its chemical behavior. This knowledge can lead to the discovery of new uses and advancements in various fields.
Used in Impurity Control:
As an impurity of Vitamin D2 (V676040), a synthetic form of Vitamin D, tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane plays a role in the quality control and purity assessment of Vitamin D2 products. Its presence can be monitored and controlled to ensure the safety and efficacy of the final product.
Used in Synthesis of (7Z)-Calcipotriene:
tert-Butyl-dimethyl-(4-methylene-3-2-[7a-methyl-1-(1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-4-ylidene]-ethylidene-cyclohexyloxy)-silane is also an intermediate in the synthesis of (7Z)-Calcipotriene (C144225), an isomeric impurity of Calcipotriene (1442000), a vitamin D3 analogue with low calcemic activity. Its involvement in this process highlights its importance in the production of pharmaceutical compounds with specific therapeutic properties.

InChI:InChI=1/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14+,28-17+,29-18-/t25-,27+,30-,31+,32?,34+/m0/s1

Upstream product

• 50-14-6 Calciferol 
• 18162-48-6 tert-butyldimethylsilyl chloride 
• 51744-66-2 3β-hydroxy-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene 
• 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 
• 170081-43-3 SO2-adduct of 3(S)-<(tert-butyldimethylsilyl)oxy>-9,10-secoergosta-5,7(E),10(19),22(E)-tetraene 
• 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 
• 247900-07-8 (7Z)-Vitamin D₂ 
• 50-14-6 (S)-4-Methylene-3-[2-[(1R,3aS)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-cyclohexanol 
• 50-14-6 ergocalciferol 
• 87407-73-6 (S)-3-[(1R,3aS)-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

• 112670-78-7 1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol 
• 112670-78-7 (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 
• 112670-78-7 (1S,5R)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-3-[2-[(1R,3aS)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(E)-ylidene]-cyclohexanol 
• 115540-28-8 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 
• 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 
• 54573-75-0 1α-hydroxyergocalciferol 
• 112670-78-7 (1S,5R)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methylene-3-[2-[(R)-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-cyclohexanol 
• 111594-58-2 (1R,7aR)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-indene 
• 111594-58-2 (1R,7aR)-4-[2-[(3R,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(E)-ylidene]-eth-(E)-ylidene]-7a-methyl-1-((E)-(1R,4R)-1,4,5-trimethyl-hex-2-enyl)-octahydro-indene 
• 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 
• 115540-28-8 (1R,3R)-bis(tert-butyldimethylsilyloxy)-1,10-seco-ergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene 

Relevant articles and documents

Development of an improved process for doxercalciferol via a continuous photochemical reaction

Doxercalciferol (1α-hydroxyvitamin D2) is a commercially approved vitamin D derivative used to treat chronic kidney disease (CKD) patients whose kidneys cannot metabolically introduce a hydroxyl group at C1. A new process for the production of doxercalcif

Improved and efficient synthesis of Maxacalcitol

Maxacalcitol, the 22-oxa-derivative of 1α, 25-dihydroxyvitamin D 3, has been used as an antihyperparathyroidism and antipsoriatic drug. In this paper, an alternative synthetic route has been developed using commercially available vitamin D

SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL

The invention provides a method of producing 20-methyl vitamin D3 compounds of formula (I). The method includes hydroxylation, carbonyl reduction, fluoride substitution, epoxide deoxygenation, and Wittig-type couplings.