Ezetimibe Diacid Impurity

Basic Information

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CAS Number

1013025-04-1

Molecular Formula

C25H24FNO5

Molecular Weight

437.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C(CCC(=O)O)C(=O)O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C25H24FNO5/c26-19-8-10-20(11-9-19)27-24(22(25(30)31)14-15-23(28)29)18-6-12-21(13-7-18)32-16-17-4-2-1-3-5-17/h1-13,22,24,27H,14-16H2,(H,28,29)(H,30,31)/t22-,24-/m1/s1

InChIKey

WLAMIMDXLOJKMS-ISKFKSNPSA-N

LogP

5.123500000000003

Topological Polar Surface Area

95.86 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

581

Synonyms & References

English

Ezetimibe Diacid Impurity
(2R)-2-[(S)-(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]pentanedioic acid
(2R)-2-[(S)-[(4-Fluorophenyl)amino][4-(phenylmethoxy)phenyl]methyl]pentanedioic Acid
((2R,3S)-2-[(4-Benzyloxyphenyl)-4-(4-Fluorophenylamino)methyl]pentanedioic acid)
EzetiMibe IMpurity ((2R,3S)-2-[(4-Benzyloxyphenyl)-4-(4-FluorophenylaMino)Methyl]pentanedioic acid)
(R)-2-((S)-(4-(benzyloxy)phenyl)((4-fluorophenyl)amino)methyl)pentanedioic acid
1013025-04-1
(R)-2-((S)-(4-(Benzyloxy)phenyl)((4-fluorophenyl)amino)methyl)pentanedioic acid
SCHEMBL14261153
(2R)-2-[(S)-[4-(Benzyloxy)phenyl](4-fluoroanilino)methyl]pentanedioic acid
DTXSID20647719
J-000359

MDL Number

MFCD24386209

FAQ

What are the physical and chemical properties of Ezetimibe Diacid Impurity (CAS: 1013025-04-1)?

Ezetimibe Diacid Impurity (CAS: 1013025-04-1) is a white to off-white solid. It has a molecular weight of approximately 342.31 g/mol. This compound is slightly soluble in water and has limited solubility in organic solvents. It is stable under normal conditions but may degrade under acidic or basic conditions. Reactivity tests show it reacts poorly with common reagents, making it less prone to unwanted side reactions.

How is Ezetimibe Diacid Impurity (CAS: 1013025-04-1) typically synthesized?

Ezetimibe Diacid Impurity (CAS: 1013025-04-1) is synthesized through a multi-step organic synthesis process. Common methods involve the use of protecting groups and sequential addition reactions. The synthesis typically yields a purity of over 95%, with selectivity towards the desired diacid impurity structure. Catalysts such as boronic acids and palladium complexes are often used to enhance reactivity and selectivity.

What industries use Ezetimibe Diacid Impurity (CAS: 1013025-04-1)?

Ezetimibe Diacid Impurity (CAS: 1013025-04-1) is primarily used in the pharmaceutical industry. It is a key intermediate in the synthesis of ezetimibe, a cholesterol-lowering drug. While not directly used in polymers, sensors, or semiconductors, the knowledge of its synthesis and properties contributes to the broader field of organic chemistry and drug development.

What precautions should be taken when handling Ezetimibe Diacid Impurity (CAS: 1013025-04-1)?

When handling Ezetimibe Diacid Impurity (CAS: 1013025-04-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up with care, using absorbent materials, and disposing of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.