15029-53-5
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester
CAS: 15029-53-5
Molecular Formula: C12H12N2O3
15029-53-5 - Names and Identifiers
| Name | 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester |
| Synonyms | Ethyl 4-(2-Cyanoacetamido)benzoate ethyl 4-[(cyanoacetyl)amino]benzoate Ethyl 4-[(cyanoacetyl)amino]benzoate ethyl 4-(2-cyanoethanoylamino)benzoate ethyl 4-[(2-cyanoacetyl)amino]benzoate 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester Benzoic acid, 4-[(2-cyanoacetyl)amino]-, ethyl ester 4-[(2-cyano-1-oxoethyl)amino]benzoic acid ethyl ester |
| CAS | 15029-53-5 |
| InChI | InChI=1/C12H12N2O3/c1-2-17-12(16)9-3-5-10(6-4-9)14-11(15)7-8-13/h3-6H,2,7H2,1H3,(H,14,15) |
15029-53-5 - Physico-chemical Properties
| Molecular Formula | C12H12N2O3 |
| Molar Mass | 232.24 |
| Density | 1.243±0.06 g/cm3(Predicted) |
| Boling Point | 470.6±30.0 °C(Predicted) |
| Flash Point | 238.4°C |
| Vapor Presure | 4.98E-09mmHg at 25°C |
| pKa | 4.70±0.10(Predicted) |
| Refractive Index | 1.572 |
15029-53-5 - Introduction
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester, chemical formula C12H13N3O3, is an organic compound. It is a solid with a pale yellow to yellow color. The following is a description of some of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: Light yellow to yellow solid
-Molecular weight: 259.25g/mol
-Solubility: Soluble in organic solvents such as ethanol and chloroform
-Melting point: about 125-130 degrees Celsius
-Density: approx. 1.216g/cm³
Use:
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester is mainly used as drug intermediates and Organic Synthesis Reagents. It is often used as an intermediate for angiotensin converting enzyme inhibitors (ACE) in drug synthesis. In addition, it can also be used in organic synthesis reactions such as aminoacylation reactions and esterification reactions.
Method:
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester can be obtained by reacting ethyl benzoate with cyanoacetamide. The reaction needs to be carried out under appropriate solvent and temperature conditions, and an appropriate amount of acid catalyst, such as acetic acid, is added to promote the reaction. After completion of the reaction, the target product can be obtained by an appropriate purification operation.
Safety Information:
- 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester should be stored in a dark, dry and well-ventilated place.
-Wear protective glasses, gloves and a mask when using.
-Avoid inhalation, ingestion or contact with skin. IF CONTACTED, IMMEDIATELY FLUSH AFFECTED AREA WITH WATER.
-During handling and storage, please follow Good Laboratory Practices and strictly follow safe operating procedures.
Nature:
-Appearance: Light yellow to yellow solid
-Molecular weight: 259.25g/mol
-Solubility: Soluble in organic solvents such as ethanol and chloroform
-Melting point: about 125-130 degrees Celsius
-Density: approx. 1.216g/cm³
Use:
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester is mainly used as drug intermediates and Organic Synthesis Reagents. It is often used as an intermediate for angiotensin converting enzyme inhibitors (ACE) in drug synthesis. In addition, it can also be used in organic synthesis reactions such as aminoacylation reactions and esterification reactions.
Method:
4-(2-Cyano-acetylamino)-benzoic acid ethyl ester can be obtained by reacting ethyl benzoate with cyanoacetamide. The reaction needs to be carried out under appropriate solvent and temperature conditions, and an appropriate amount of acid catalyst, such as acetic acid, is added to promote the reaction. After completion of the reaction, the target product can be obtained by an appropriate purification operation.
Safety Information:
- 4-(2-Cyano-acetylamino)-benzoic acid ethyl ester should be stored in a dark, dry and well-ventilated place.
-Wear protective glasses, gloves and a mask when using.
-Avoid inhalation, ingestion or contact with skin. IF CONTACTED, IMMEDIATELY FLUSH AFFECTED AREA WITH WATER.
-During handling and storage, please follow Good Laboratory Practices and strictly follow safe operating procedures.
Last Update：2024-04-09 20:52:54
