112828-13-4

Basic information

• Product Name: (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde
• Synonyms: (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde;(αS,1R,3aS,4E,7aR)-4-[(2E)-[(3S,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-α,7a-diMethyl-1H-indene;(S)-2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)propanal;:1H-Indene-1-acetaldehyde, 4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-, (αS,1R,3aS,4E,7aR)-;(2S)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal
• CAS NO: 112828-13-4
• Molecular Formula: C₃₄H₆₀O₃Si₂
• Molecular Weight: 573
• Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 112828-13-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 568.6±50.0 °C(Predicted)
• Appearance: /
• Density: 0.96±0.1 g/cm3(Predicted)
• Solubility: Chloroform, Dichloromethane
• CAS DataBase Reference: (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde(112828-13-4)
• EPA Substance Registry System: (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde(112828-13-4)

Safety Data

• Hazardous Substances Data: 112828-13-4(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Intermediate in the preparation of Vitamin D analogs.

Upstream product

• 115648-67-4 1(S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-20(R)-formyl-9,10-secopregna-5(E),7(E),10(19)-triene 
• 128387-35-9 (1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-20(S)-(hydroxymethyl)-9,10-secopregna-5(E),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 
• 115540-27-7 1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol 
• 266686-81-1 (6S)- and (6R)-SO₂ adducts of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(S)-formyl-9,10-secopregna-5,7(E),10⁽¹⁹⁾-triene 
• 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 
• 104846-62-0 (5E)-vitamin D₂ tert-butyldimethylsilyl ether 
• 247900-07-8 (7Z)-Vitamin D₂ 
• 112670-78-7 1(S),3(R)-3-(tert-butyldimethylsilyl)-9,10-secoergosta-5(E),7(E),10⁽¹⁹⁾,22(E)-tetraene-1-ol 
• 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 
• 112670-79-8 (1S,3R,6S)-bis(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂ adduct 
• 112670-86-7 (1S,3R,6R)-bis(tert-butyldimethylsilyloxy)-9,10-seco-ergosta-5,7(E),10⁽¹⁹⁾,22(E)-tetraene SO₂ adduct 

Downstream Products

• 115648-67-4 1(S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-20(R)-formyl-9,10-secopregna-5(E),7(E),10(19)-triene 
• 1186587-47-2 C₃₉H₆₈O₄Si₂ 
• 57333-95-6 1alpha,24(S)-Dihydroxyvitamin D₃ 
• 57333-96-7 tacalcitol 
• 112849-17-9 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3’-cyclopropyl-3’-oxypropyl-1’(E)-enyl)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 1255151-20-2 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3′-isopropyl-3′-oxypropyl)-9,10-secopregna-5(E),7(E),10(19)-triene 
• 112849-23-7 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20(R)-(3’-cyclopropyl-3’-oxypropyl)-9,10-secopregna-5(E),7(E),10(19)-triene 

Relevant articles and documents

Enantiomeric impurity PY2 of tacalcitol and preparation method and application thereof

The invention discloses an enantiomeric impurity PY2 of tacalcitol, i.e., (1 alpha, 3 beta, 5Z, 7E, 24S)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, and a preparation method thereof, and belongsto the technical field of chemical pharmaceutical. The high-purity relevant impurity PY2 of the tacalcitol, which is disclosed by the invention, can be used as an impurity standard substance in the tacalcitol finished product detection analysis so as to promote accurate positioning and nature determination of the tacalcitol finished product detection analysis on the impurity and benefit reinforcement of control on the impurity, thereby improving quality of a tacalcitol finished product. The method provided by the invention has the advantages that the raw materials are cheap and easy to obtain, the operation is simple, the reproducibility is good in and the HPLC (High Performance Liquid Chromatography) purity is greater than or equal to 99.5%.

Synthesis and biological evaluation of a new vitamin D2 analogue

A new vitamin D2 analogue was synthesized using the Julia-Kocienski olefination. It has antiproliferative effects on cell lines from squamous cell carcinomas of colon and head and neck, but is also as hypercalcaemic as calcitriol in vivo.

Synthesis of a Biologically Active Vitamine-D2 Metabolite

The synthesis of 1α,25,28-trihydroxyvitamin-D2 (1) from vitamin-D2 is described.Approaches to the upper side-chain synthon via the chiral sulfone 15, prepared either through the enzymatic resolution of 10 or the opening of the optica