CAS 112849-17-9

(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

Description:

The chemical substance with the 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" and CAS number "112849-17-9" is a complex organic compound characterized by multiple stereocenters and a variety of functional groups. It features a cyclopropyl group and a pentenone moiety, indicating potential reactivity typical of unsaturated carbonyl compounds. The presence of tert-butyl dimethylsilyl groups suggests that the compound may exhibit significant hydrophobic properties and stability against hydrolysis, making it useful in various synthetic applications. The intricate stereochemistry implies that it may have specific biological activity or selectivity, which is often a focus in medicinal chemistry. Overall, this compound's structural complexity and functional diversity position it as a potentially valuable entity in organic synthesis and pharmaceutical development.

Formula: C₃₉H₆₆O₃Si₂

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

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
• Calcipotriol Intermediate 9
• Calcipotriol Impurity 11
• Calcipotriol (Calcipotriene) intermediate
• (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
• (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
• (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert...
• InterMediate G6/(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
• (5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene

(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: 112849-17-9

Formula: C₃₉H₆₆O₃Si₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 639.1105

Ref: IN-DA007S3T

(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

CAS: 112849-17-9

(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

Purity: 98%

Molecular weight: 639.11g/mol

Ref: 54-OR1034319

(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

CAS: 112849-17-9

Purity: 98%

Molecular weight: 639.1240234

Ref: 10-F788743

(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene

Controlled Product

CAS: 112849-17-9

Applications Intermediate in the preparation of Vitamin D (V676040) analogs.
References Xu, W. et al.: Org. Lett., 12, 4431 (2010); Calverley, M.J.: Tetrahedron, 43, 4609 (1987)

Formula: C₃₉H₆₆O₃Si₂

Color and Shape: Neat

Molecular weight: 639.11

Ref: TR-B691900