2,3-diamino benzoicacid methyl ester
Methyl 2,3-diaminobenzoate
CAS: 107582-20-7
Molecular Formula: C8H10N2O2
2,3-diamino benzoicacid methyl ester - Names and Identifiers
| Name | Methyl 2,3-diaminobenzoate |
| Synonyms | Methyl 2,3-diaminobenzoate METHYL 2,3-DIAMINOBENZOATE 2,3-DIAMINOBENZOIC ACID METHYL ESTER 2,3-diamino benzoicacid methyl ester 2,3-Diaminobenzoic acid methyl ester 2,3-Diamino-benzoic acid methyl ester Benzoic acid, 2,3-diamino-, methyl ester 2,3-Diaminobenzoic Acid Methyl EsterDiscontinued. See D416211 |
| CAS | 107582-20-7 |
| InChI | InChI=1/C8H10N2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,9-10H2,1H3 |
2,3-diamino benzoicacid methyl ester - Physico-chemical Properties
| Molecular Formula | C8H10N2O2 |
| Molar Mass | 166.18 |
| Density | 1.260±0.06 g/cm3(Predicted) |
| Melting Point | 68-70°C |
| Boling Point | 322.6±22.0 °C(Predicted) |
| Flash Point | 176.5°C |
| Vapor Presure | 0.000277mmHg at 25°C |
| Appearance | Yellow solid |
| Color | Light yellow to Brown |
| pKa | 3.02±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
| Refractive Index | 1.622 |
2,3-diamino benzoicacid methyl ester - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact |
| Safety Description | 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. S36/37 - Wear suitable protective clothing and gloves. |
2,3-diamino benzoicacid methyl ester - Reference Information
| Application | Methyl 2,3-diaminobenzoate is a pharmaceutical intermediate that can be used to prepare 2-ethoxy-4-methyl formate-3-hydro-benzimidazole, and then trityl candesartan intermediate can be prepared. |
| preparation | step 1. the preparation of 2-methyl formate -6-nitro-benzoic acid 200 g3-nitrophthalic acid and 1L methanol are added to the reaction bottle. 104mL of thionyl chloride was added dropwise in ice water bath, and the dripping was completed in 2 hours. Heat up to reflux and react for 24 hours. The reaction mixture was concentrated to dry and washed with petroleum ether. Filtration resulted in 210.5g of 2-methyl formate -6-nitro-benzoic acid white solid with a yield of 99%. Step 2. the preparation of 2-amino -3-nitro-benzoate methyl 100 2-methyl formate -6-nitro-benzoic acid, 800mL chloroform and 133.3mL 98% sulfuric acid were sequentially added to the reaction bottle. 56g of sodium azide was added in batches at room temperature for about 100min. The temperature was raised to 50 ℃ and the reaction was carried out for 22 hours. The reaction mixture is cooled to room temperature, the solvent is decanted, the chloroform is washed, 400mL of water is added, and filtered to obtain 78.4g of yellow solid with a yield of 90%. Step 3. Preparation of methyl 2,3-diaminobenzoate Methyl 5g2-amino-3-nitro-benzoate, 50mL concentrated hydrochloric acid, 25 gSnCl2 · 2H2O were sequentially added to the reaction bottle and reacted at room temperature for 5 hours. The reaction mixture was adjusted to pH to 8 with saturated sodium carbonate solution, ethyl acetate extraction, organic phases were combined, and solvent was distilled to obtain 4g of light yellow solid of 2, 3-diamino-benzoate. |
Last Update：2024-04-09 02:00:05
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