Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- | CAS No. 1352328-66-5

Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)-

Basic Information

CAS Number

1352328-66-5

Molecular Formula

C33H46O4

Molecular Weight

506.72 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (6.6E-5 g/L) (25 ºC),

C/C=C\1/C(=O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCC(=O)OCc1ccccc1)C

InChI

InChI=1S/C33H46O4/c1-5-24-28-19-23(34)15-17-33(28,4)27-16-18-32(3)25(12-13-26(32)30(27)31(24)36)21(2)11-14-29(35)37-20-22-9-7-6-8-10-22/h5-10,21,23,25-28,30,34H,11-20H2,1-4H3/b24-5+/t21-,23-,25-,26+,27+,28+,30+,32-,33-/m1/s1

InChIKey

JKCADEBSFFPQJB-WYPOTTRMSA-N

LogP

6.901100000000009

Topological Polar Surface Area

63.599999999999994 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)-
  • (R)-Benzyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
  • Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester

MDL Number

MFCD29920508

FAQ

What are the physical and chemical properties of Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5)?

Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 469.5 g/mol. It has low water solubility but is soluble in common organic solvents like dichloromethane and methanol. This compound is reactive, particularly with nucleophiles and bases, and is used in pharmaceutical and chemical synthesis due to its specific functional groups.

How is Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5) typically synthesized?

Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5) can be synthesized through a multi-step process starting from cholan-24-oic acid. The key steps involve esterification and acylation reactions. Commonly, the synthesis employs a strong acid catalyst like sulfuric acid, and the process ensures high yield and selectivity. Industrially, this compound is synthesized using protected functional groups to avoid side reactions.

What industries use Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5)?

Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5) is primarily used in the pharmaceutical industry for developing new drugs, particularly those targeting cholesterol metabolism. It is also utilized in the polymer industry for modifying properties of certain polymers and in sensor technology for detecting specific biochemical analytes.

What precautions should be taken when handling Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5)?

When handling Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)- (CAS: 1352328-66-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

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