(1S,3R,5E,7E,14xi,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one

Basic Information

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CAS Number

112849-17-9

Molecular Formula

C39H66O3Si2

Molecular Weight

639.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

White

Melting Point

122-123 °C(Solv: methanol (67-56-1))

Boiling Point

628.2±55.0 °C(Predicted)

Density

0.98

Flash Point

277.1 °C

Solubility

Chloroform, Dichloromethane, Ethyl Acetate

Refractive Index

1.511

SMILES

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CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

InChI

InChI=1S/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

InChIKey

OOEFJWPTKXCMDU-BBACPOOOSA-N

LogP

11.357799999999989

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

1170

Safety Information

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Stability

Light Sensitive, Temperature Sensitive

Synonyms & References

English

(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene
112849-17-9
AKOS037649701
MFCD09833393
(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(t-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
CS-M0579
Calcipotriol Intermediate 9
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
(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
(E,4R)-4-[(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]-1-cyclopropylpent-2-en-1-one
CS-13401
(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one
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
(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
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
Calcipotriol Impurity 11
(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...
(1S,3R,20R)-bis(tert-butyldimethylsilyloxy)-20-(3'-cyclopropyl-3'-oxyprop-1'(E)-enyl)-9,10-secopregna-5(E),7(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)
InterMediate G6
BCP08786
(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-ind
CID 134694369

MDL Number

MFCD09833393

FAQ

What regulatory guidelines apply to (1S,3R,5E,7E,14xi,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one (CAS: 112849-17-9)?

This compound requires adherence to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations for European manufacturers and importers, and FDA/EPA related requirements for pharmaceutical and chemical applications. It is classified as a non-hazardous substance under GHS, but proper storage and handling are still necessary to prevent accidental exposure. Compliance with local and regional regulations is also essential.

Are there alternatives to (1S,3R,5E,7E,14xi,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one (CAS: 112849-17-9) in synthesis?

Alternatives to this compound include various steroidal derivatives and isomers. Some common isomers, such as the (1R,3S,5E,7E,14xi,22E) isomer, can be used as alternatives in synthesis. Other steroidal compounds like cholesterol or other seco-steroids may also be considered depending on the specific application.

What is the market or research trend for (1S,3R,5E,7E,14xi,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one (CAS: 112849-17-9)?

The market for this compound is primarily driven by its use in specialized chemical research and pharmaceutical applications. Recent trends indicate growing interest in its use for developing new drugs and materials. Research is focusing on its potential in drug delivery systems and novel therapeutic applications. The compound's scarcity and specific properties make it a valuable research focus.

How should waste containing (1S,3R,5E,7E,14xi,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one (CAS: 112849-17-9) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, but it must be conducted in an environmentally compliant manner. Environmental protection precautions include ensuring no release into water bodies and adherence to local waste management regulations. Safe handling and disposal are crucial to prevent environmental contamination.