5-Bromoanthranilic acid methyl ester
Methyl 2-amino-5-bromobenzoate
CAS: 52727-57-8
Molecular Formula: C8H8BrNO2
5-Bromoanthranilic acid methyl ester - Names and Identifiers
| Name | Methyl 2-amino-5-bromobenzoate |
| Synonyms | METHYL 5-BROMOANTHRANILATE Methyl 2-amino-5-bromobenzoate 5-Bromoanthranilic acid methyl ester 2-Amino-5-bromobenzoic acid methyl ester 4-Bromo-2-(methoxycarbonyl)aniline, Methyl 5-bromoanthranilate 2-Amino-5-BromoBenzoic Acid methyl esterMethyl 2-amino-5-bromobenzoate 2-Amino-5-bromobenzoic acid methyl ester~5-Bromoanthranilic acid methyl ester 2-Amino-5-bromobenzoic Acid Methyl EsterMethyl 2-Amino-5-bromobenzoate5-Bromoanthranilic Acid Methyl Ester |
| CAS | 52727-57-8 |
| EINECS | 610-890-8 |
| InChI | InChI=1/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3 |
| InChIKey | QVNYNHCNNGKULA-UHFFFAOYSA-N |
5-Bromoanthranilic acid methyl ester - Physico-chemical Properties
| Molecular Formula | C8H8BrNO2 |
| Molar Mass | 230.06 |
| Density | 1.578±0.06 g/cm3(Predicted) |
| Melting Point | 72-74°C(lit.) |
| Boling Point | 286.3±20.0 °C(Predicted) |
| Flash Point | 126.9°C |
| Water Solubility | Soluble in water. |
| Solubility | DMSO, Methanol |
| Vapor Presure | 0.00266mmHg at 25°C |
| Appearance | Solid |
| Color | White |
| BRN | 972720 |
| pKa | 1.76±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.601 |
| MDL | MFCD00144761 |
5-Bromoanthranilic acid methyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R37/38 - Irritating to respiratory system and skin. R36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29224999 |
5-Bromoanthranilic acid methyl ester - Reference Information
| Uses | Methyl 5-bromoaminobenzoate is an ester compound, mainly used as an organic intermediate in organic synthesis. |
| preparation | 302mg(2mmol) of methyl anthranilate and 143mg(1.2mmol) of potassium bromide are added into a 50ml three-neck flask, then 10ml of solvent with AcOH:H2O = 9:1 is added, transferred to a constant temperature magnetic stirring water bath, and the temperature is controlled to be 30 ℃ for stirring and reaction for 1 hour, 1.8g(1.8mmol)ZnAl-BrO3-LDHs were added slowly in batches within 15 minutes before the reaction. After the reaction is over, the reaction solution is extracted with dichloromethane, the organic phase is combined, two spoons of column chromatography silica gel (200-300 mesh) are added to the dichloromethane phase, and dichloromethane is distilled under reduced pressure. The pure product 359mg is obtained by column chromatography (petroleum ether: ethyl acetate = 10:1 as eluent). The substance is an off-white solid with 78% yield. |
Last Update：2024-04-09 19:55:45
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