Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
CAS: 125743-63-7
Molecular Formula: C13H17N3
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- - Names and Identifiers
| Name | 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile |
| Synonyms | Imatinib int1 1-(4-Cyanobenzyl)-4-methylpiperazine 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE 4-[(4-Methyl-1-piperazinyl)methyl]benzonitrile 4-((4-methylpiperazin-1-yl)methyl)benzonitrile 4-[(4-Methylpiperazin-1-yl)methyl]benzonitrile Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- |
| CAS | 125743-63-7 |
| InChI | InChI=1/C13H17N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-9,11H2,1H3 |
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- - Physico-chemical Properties
| Molecular Formula | C13H17N3 |
| Molar Mass | 215.29 |
| Density | 1.11 |
| Melting Point | 69 °C |
| Boling Point | 342.5±32.0 °C(Predicted) |
| Flash Point | 144.5°C |
| Vapor Presure | 7.48E-05mmHg at 25°C |
| pKa | 7.55±0.10(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | 1.587 |
| Use | Intermediate |
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| Hazard Note | Corrosive |
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- - Introduction
Imatinib is a widely used drug for the treatment of leukemia and other malignancies. Its synthetic intermediate I is an important organic compound, which has the following characteristics:
Properties: Imatinib synthesis intermediate I is a white or almost white crystal powder with good solubility and thermal stability. Its chemical structure contains multiple aromatic rings and fluorine substituents.
Use: The synthetic intermediate I of imatinib is mainly used for the synthesis of imatinib and becomes a key step in the preparation of imatinib. As a tyrosine kinase inhibitor, imatinib can effectively inhibit the proliferation of leukemia cells and has anti-cancer effect.
Preparation method: The preparation method of imatinib synthetic intermediate I generally includes the following steps:
1. Chemical conversion is carried out from aminobenzoic acid, and a fluorine substituent is introduced by a substitution reaction.
2. An acylation reaction is carried out using an appropriate base catalyst to generate an amide substance.
3. carrying out oxidation reaction to obtain imatinib synthetic intermediate I.
Safety Information: Imatinib synthetic intermediate I is a chemical substance that needs to be handled in a laboratory or production environment in strict accordance with safe operating regulations. It can cause irritation and damage to the eyes, skin and respiratory tract. During use, appropriate personal protective measures should be taken, such as wearing gloves, goggles and protective masks. In addition, it should also be stored in a dark, dry and well-ventilated place, away from fire and flammable substances.
Properties: Imatinib synthesis intermediate I is a white or almost white crystal powder with good solubility and thermal stability. Its chemical structure contains multiple aromatic rings and fluorine substituents.
Use: The synthetic intermediate I of imatinib is mainly used for the synthesis of imatinib and becomes a key step in the preparation of imatinib. As a tyrosine kinase inhibitor, imatinib can effectively inhibit the proliferation of leukemia cells and has anti-cancer effect.
Preparation method: The preparation method of imatinib synthetic intermediate I generally includes the following steps:
1. Chemical conversion is carried out from aminobenzoic acid, and a fluorine substituent is introduced by a substitution reaction.
2. An acylation reaction is carried out using an appropriate base catalyst to generate an amide substance.
3. carrying out oxidation reaction to obtain imatinib synthetic intermediate I.
Safety Information: Imatinib synthetic intermediate I is a chemical substance that needs to be handled in a laboratory or production environment in strict accordance with safe operating regulations. It can cause irritation and damage to the eyes, skin and respiratory tract. During use, appropriate personal protective measures should be taken, such as wearing gloves, goggles and protective masks. In addition, it should also be stored in a dark, dry and well-ventilated place, away from fire and flammable substances.
Last Update：2024-04-09 20:52:54
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