Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)-
4-benzoyl-4-(2-cyanoethyl)heptanedinitrile
CAS: 5342-96-1
Molecular Formula: C17H17N3O
Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- - Names and Identifiers
| Name | 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile |
| Synonyms | Tris(2-cyanoethyl)acetophenone 4-(benzoyl)-4-(2-cyanoethyl)pimelonitrile 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- 4-(2-cyanoethyl)-4-phenylcarbonyl-heptanedinitrile |
| CAS | 5342-96-1 |
| InChI | InChI=1/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2 |
Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- - Physico-chemical Properties
| Molecular Formula | C17H17N3O |
| Molar Mass | 279.34 |
| Density | 1.118g/cm3 |
| Boling Point | 571°C at 760 mmHg |
| Flash Point | 299.1°C |
| Vapor Presure | 4.76E-13mmHg at 25°C |
| Refractive Index | 1.534 |
Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- - Introduction
4-benzoyl-4-(2-cyanoethyl)heptanedinitrile is an organic compound. Its chemical formula is C19H21N3O2 and its molecular weight is 331.39g/mol.
Nature:
-Appearance: White to light yellow crystal or powder
-Melting point: approximately 54-56°C
-Boiling point: approx. 423°C
-Solubility: Soluble in organic solvents such as chloroform, ethanol and xylene, insoluble in water
Use:
This compound is mainly used in the field of organic synthesis and is often used as an intermediate for materials. It can be used in the preparation of biologically active organic compounds, such as anti-inflammatory drugs, anti-cancer drugs and other important intermediates in the synthesis of drugs.
Preparation Method:
The preparation method of 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile is relatively complicated, and generally needs to be obtained through a synthetic reaction. The commonly used preparation methods mainly include:
1. First, benzoyl chloride reacts with heptanediamine in an organic solvent to generate an amide derivative of heptanediamine.
2. Then under basic conditions, the amide derivative of heptanediamine is reacted with cyanoethyl chloride to generate 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile.
3. Finally, the product was purified by crystallization, filtration and washing to obtain the target compound.
Safety Information:
heptanedinitrile 4-benzoyl-4-(2-cyanoethyl) is relatively safe under normal conditions of use, some basic safety operations still need to be followed:
-When in contact with skin and eyes, rinse immediately with plenty of water.
-During operation, avoid inhaling the dust of its powder or solution, and avoid prolonged contact with it.
-Should be used in good ventilation conditions, and wear protective gloves and eye protection.
-When storing and using, keep away from fire and heat sources, and store in a closed, dry and cool place.
However, specific safety information also requires reference to the safety data sheet (SDS) of the chemical and relevant operating instructions to ensure the correct and safe use of the compound.
Nature:
-Appearance: White to light yellow crystal or powder
-Melting point: approximately 54-56°C
-Boiling point: approx. 423°C
-Solubility: Soluble in organic solvents such as chloroform, ethanol and xylene, insoluble in water
Use:
This compound is mainly used in the field of organic synthesis and is often used as an intermediate for materials. It can be used in the preparation of biologically active organic compounds, such as anti-inflammatory drugs, anti-cancer drugs and other important intermediates in the synthesis of drugs.
Preparation Method:
The preparation method of 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile is relatively complicated, and generally needs to be obtained through a synthetic reaction. The commonly used preparation methods mainly include:
1. First, benzoyl chloride reacts with heptanediamine in an organic solvent to generate an amide derivative of heptanediamine.
2. Then under basic conditions, the amide derivative of heptanediamine is reacted with cyanoethyl chloride to generate 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile.
3. Finally, the product was purified by crystallization, filtration and washing to obtain the target compound.
Safety Information:
heptanedinitrile 4-benzoyl-4-(2-cyanoethyl) is relatively safe under normal conditions of use, some basic safety operations still need to be followed:
-When in contact with skin and eyes, rinse immediately with plenty of water.
-During operation, avoid inhaling the dust of its powder or solution, and avoid prolonged contact with it.
-Should be used in good ventilation conditions, and wear protective gloves and eye protection.
-When storing and using, keep away from fire and heat sources, and store in a closed, dry and cool place.
However, specific safety information also requires reference to the safety data sheet (SDS) of the chemical and relevant operating instructions to ensure the correct and safe use of the compound.
Last Update：2024-04-09 20:45:29
