Enalapril Impurity 4

Basic Information

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CAS Number

15121-89-8

Molecular Formula

C12H12O3

Molecular Weight

204.23 g/mol

Basic Physical Properties

Boiling Point

185°C/25mmHg

Flash Point

113 ºC

Refractive Index

1.543

SMILES

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CCOC(=O)C=CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey

ACXLBHHUHSJENU-CMDGGOBGSA-N

LogP

1.9886

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

250

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

E-ethyl-4-oxo-4-phenylcrotonate
ethyl (E)-4-oxo-4-phenylbut-2-enoate
Ethyl 3-benzoylacrylate, technical grade, 92%
ETHYL-3-BENZOYLACRYLATE
J-520854
2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
(E)-Ethyl 4-oxo-4-phenylbut-2-enoate
CS-W015409
ethyl 4-oxo-4-phenylbut-2-enoate
Ethyl 3-benzoylacrylate
ethyl (2E)-4-oxo-4-phenylbut-2-enoate
E-ethyl-3-benzoyl-acrylate
17450-56-5
AKOS005100232
trans-ethyl 3-benzoylacrylate
ethyl trans-beta-benzoylacrylate
Ethyl trans-3-Benzoylacrylate
trans-ethyl beta-benzoylacrylate
SCHEMBL3371348
MFCD00011533
J-640273
(E)-Ethyl4-oxo-4-phenylbut-2-enoate
7N-720
J-800265
B1233
trans-3-Benzoylacrylic Acid Ethyl Ester
AI3-10548
4-OXO-4-PHENYL-BUT-2-ENOIC ACID ETHYL ESTER
CHEMBL4063314
CS-0166778
2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester, (2E)-

MDL Number

MFCD00011533

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Enalapril Impurity 4 (CAS: 15121-89-8)?

Enalapril Impurity 4 is an organic compound with a crystalline form and a molecular weight of approximately 334.37 g/mol. It has a very low solubility in water (0.002 g/L) and exhibits limited reactivity under normal conditions. The impurity is typically characterized by its specific melting point and infrared spectrum.

How is Enalapril Impurity 4 (CAS: 15121-89-8) typically synthesized?

Enalapril Impurity 4 is synthesized through a series of reactions involving amide and alcohol functional groups. The synthesis typically requires the use of appropriate catalysts and solvents to achieve high selectivity and yield. The process involves the condensation of an amino alcohol with a carboxylic acid derivative under controlled conditions.

What industries use Enalapril Impurity 4 (CAS: 15121-89-8)?

Enalapril Impurity 4, although not directly used in its pure form, is a by-product in the synthesis of Enalapril, a vasodilator used in the treatment of hypertension. It may be found in pharmaceutical formulations as a controlled impurity. It is not commonly used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling Enalapril Impurity 4 (CAS: 15121-89-8)?

When handling Enalapril Impurity 4, safety precautions should be followed to ensure worker safety and environmental protection. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, use appropriate spill response equipment and consult the Safety Data Sheet (SDS) for specific instructions.