ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate
ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
CAS: 3543-72-4
Molecular Formula: C14H17N3O4
ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate - Names and Identifiers
| Name | ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate |
| Synonyms | BendaMustine Nitro Ethyl Ester IMpurity Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl) ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-d3 (5-Nitro-1-Methyl-1H-benzo[d]iMidazol-2-yl)butanoic acid ethyl ester |
| CAS | 3543-72-4 |
| EINECS | 686-742-1 |
| InChI | InChI=1/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3 |
ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate - Physico-chemical Properties
| Molecular Formula | C14H17N3O4 |
| Molar Mass | 291.3 |
| Density | 1.30±0.1 g/cm3(Predicted) |
| Melting Point | 100-104°C |
| Boling Point | 481.0±25.0 °C(Predicted) |
| Solubility | Dichloromethane, Ethyl Acetate, Methanol |
| Appearance | Powder |
| Color | Brown |
| pKa | 3.78±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.599 |
| Use | Bendamustine Intermediate |
ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate - Introduction
Ethyl 4-([d]imidazol-2-yl) is an organic compound butanoate the chemical formula C14H15N3O4.
Nature:
-Appearance: Colorless to yellow crystalline or powdery substance.
-Melting point: about 140-142 ℃.
-Solubility: Soluble in ethanol and dimethylformamide, slightly soluble in esters and ether solvents.
-Stability: It is relatively stable at room temperature, but it will decompose when exposed to light, heat and moisture.
Use:
-Pharmaceutical field: ethyl 4-([d]imidazol-2-yl)butanoate has antibacterial, anti-inflammatory and anti-tumor activities, so it is often used as an intermediate for the synthesis of new drug molecules.
-Scientific research: It can be used as a starting material for the synthesis and research of compounds with benzimidazole skeleton in the laboratory.
-Pesticide field: In view of its antibacterial properties, it is sometimes used for pesticide preparation.
Preparation Method:
The preparation method of ethyl 4-([d]imidazol-2-yl)butanoate is more complicated, and a common method is synthesis through a multi-step reaction. The usual synthesis method is to first react ethyl 4-amino-1-methyl-1H-benzimidazole-2-butyrate with nitric acid and sulfuric acid to produce 5-nitro-1-methyl-1H-benzimidazole-2-butyric acid, and then react with cyanoacetate to produce the target compound.
Safety Information:
- ethyl 4-(imidazol-2-yl [d]) butanoate is an organic compound, and care should be taken to prevent it from touching skin, eyes and inhalation during use or preparation.
-It may be irritating to the eyes, skin and respiratory tract and may cause allergic reactions.
-During use or storage, avoid contact with oxidants, combustible substances and other substances to avoid fire or explosion.
-When using or handling, please strictly abide by personal protective measures and follow the correct operation method for handling. Good ventilation conditions, avoid inhalation of its vapor or dust.
Nature:
-Appearance: Colorless to yellow crystalline or powdery substance.
-Melting point: about 140-142 ℃.
-Solubility: Soluble in ethanol and dimethylformamide, slightly soluble in esters and ether solvents.
-Stability: It is relatively stable at room temperature, but it will decompose when exposed to light, heat and moisture.
Use:
-Pharmaceutical field: ethyl 4-([d]imidazol-2-yl)butanoate has antibacterial, anti-inflammatory and anti-tumor activities, so it is often used as an intermediate for the synthesis of new drug molecules.
-Scientific research: It can be used as a starting material for the synthesis and research of compounds with benzimidazole skeleton in the laboratory.
-Pesticide field: In view of its antibacterial properties, it is sometimes used for pesticide preparation.
Preparation Method:
The preparation method of ethyl 4-([d]imidazol-2-yl)butanoate is more complicated, and a common method is synthesis through a multi-step reaction. The usual synthesis method is to first react ethyl 4-amino-1-methyl-1H-benzimidazole-2-butyrate with nitric acid and sulfuric acid to produce 5-nitro-1-methyl-1H-benzimidazole-2-butyric acid, and then react with cyanoacetate to produce the target compound.
Safety Information:
- ethyl 4-(imidazol-2-yl [d]) butanoate is an organic compound, and care should be taken to prevent it from touching skin, eyes and inhalation during use or preparation.
-It may be irritating to the eyes, skin and respiratory tract and may cause allergic reactions.
-During use or storage, avoid contact with oxidants, combustible substances and other substances to avoid fire or explosion.
-When using or handling, please strictly abide by personal protective measures and follow the correct operation method for handling. Good ventilation conditions, avoid inhalation of its vapor or dust.
Last Update：2024-04-09 02:00:45
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Product Name: Bendamustine Impurity 20 Visit Supplier Webpage Request for quotationCAS: 3543-72-4
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
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Multiple Specifications
Product Name: 1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester Visit Supplier Webpage Request for quotationCAS: 3543-72-4
Tel: 18301782025
Email: 3008007409@qq.com
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Multiple Specifications
Product Name: ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate Request for quotationCAS: 3543-72-4
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