Nilotinib EP Impurity B
Methyl 3-amino-4-methylbenzoate
CAS: 18595-18-1
Molecular Formula: C9H11NO2
Nilotinib EP Impurity B - Names and Identifiers
Nilotinib EP Impurity B - Physico-chemical Properties
| Molecular Formula | C9H11NO2 |
| Molar Mass | 165.19 |
| Density | 1.132±0.06 g/cm3(Predicted) |
| Melting Point | 113-117°C(lit.) |
| Boling Point | 296.3±20.0 °C(Predicted) |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Appearance | Crystalline powder |
| Color | White to cream |
| BRN | 2088611 |
| pKa | 3.31±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| MDL | MFCD00025206 |
Nilotinib EP Impurity B - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| WGK Germany | 3 |
| HS Code | 29224999 |
| Hazard Note | Irritant |
Nilotinib EP Impurity B - Reference Information
| LogP | 1.7 at 22℃ and pH7 |
| introduction | methyl 3-amino -4-methylbenzoate has a melting point of 113 to 117 degrees, a density of 1.13, and a white to off-white crystal solid under normal temperature and pressure. It can be used as an intermediate in organic synthesis. It has general solubility in chloroform and methanol, and the dissolution will be better under heating. |
| Uses | Methyl 3-amino-4-methylbenzoate is a common organic synthesis intermediate. Its main purpose is to participate as a molecular skeleton in the synthesis of drug molecules and bioactive molecules. The ester group in methyl 3-amino-4-methylbenzoate can be converted into a series of active functional groups, such as hydroxyl, aldehyde, etc. The amino group on the benzene ring can be easily converted into an azide group, and then under certain conditions, it can be condensed with the ortho methyl group to form the corresponding nitrogen five-membered ring. |
| Synthesis method | For the synthesis of methyl 3-amino-4-methylbenzoate, the conventional synthesis method is from its 4-Methyl-3-nitrobenzoate Starting from methyl ester, the nitro group is changed into amino group through palladium-carbon hydrogenation reduction to obtain the target product. The synthesis route has high reaction efficiency and simple post-treatment. In addition, starting from the corresponding benzoic acid, the carboxylic acid is first converted into acyl chloride, and then methanol is added to obtain the target product methyl 3-amino-4-methylbenzoate. In contrast, the route ahead is simpler and more efficient. |
| environmental hazards | methyl 3-amino-4-methylbenzoate, as an organic amine compound, is more harmful to the water environment. undiluted or a large number of products cannot be allowed to contact groundwater, waterways or sewage systems. |
Last Update：2024-04-09 20:52:54
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