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| | Methyl 3-AMino-5-broMo-2-Methylbenzoate Basic information |
| Product Name: | Methyl 3-AMino-5-broMo-2-Methylbenzoate | | Synonyms: | Methyl 3-AMino-5-broMo-2-Methylbenzoate;Benzoic acid, 3-aMino-5-broMo-2-Methyl-, Methyl ester;Benzoic acid, 3-aMino-5-b...;3-AMino-5-broMo-2-Methyl-benzoicacid Methyl ester;3-Amino-2-Methyl-5-bromo benzoic acid methyl este;EOS-61052;MethyI 3-AMino-5-broMo-2-Methylbenzoate;3-amino-5-bromo-2-methylbenzoic acid | | CAS: | 1000342-11-9 | | MF: | C9H10BrNO2 | | MW: | 244.09 | | EINECS: | 811-830-5 | | Product Categories: | | | Mol File: | 1000342-11-9.mol |  |
| | Methyl 3-AMino-5-broMo-2-Methylbenzoate Chemical Properties |
| Melting point | 52 °C | | Boiling point | 336.0±37.0 °C(Predicted) | | density | 1.506 | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 2.23±0.10(Predicted) | | color | White to Light yellow to Light orange | | InChI | InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3 | | InChIKey | NMLOSXSDLWFBKT-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC(Br)=CC(N)=C1C | | CAS DataBase Reference | 1000342-11-9 |
| RIDADR | UN2811 | | HS Code | 2922.49.3700 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | Methyl 3-AMino-5-broMo-2-Methylbenzoate Usage And Synthesis |
| Uses | Methyl 3-amino-5-bromo-2-methylbenzoate is used as an intermediate in organic synthesis and is widely used in the manufacture of pharmaceuticals (e.g., anticancer drugs, antimicrobials and pesticides) and dye products. | | Synthesis | General procedure for the synthesis of methyl 2-methyl-3-amino-5-bromobenzoate from methyl 5-bromo-2-methyl-3-nitrobenzoate: methyl 5-bromo-2-methyl-3-nitrobenzoate (17 g, 62 mmol) was dissolved in a mixed solvent of ethanol (150 ml) and water (75 ml), followed by addition of ammonium chloride (17 g, 318 mmol) and iron powder ( 27.8 g, 498 mmol). The reaction mixture was stirred at 90°C for 1 hour. After completion of the reaction, the reaction mixture was filtered while hot and the filtrate was concentrated under vacuum, saturated aqueous sodium bicarbonate solution was added and extracted with ethyl acetate. The organic phases were combined, dried with anhydrous sodium sulfate and subsequently concentrated in vacuum to give 15 g of methyl 2-methyl-3-amino-5-bromobenzoate in 99% yield. | | References | [1] Patent: WO2012/118812, 2012, A2. Location in patent: Page/Page column 312
[2] Patent: WO2012/142513, 2012, A1. Location in patent: Page/Page column 268
[3] Patent: US2014/107122, 2014, A1. Location in patent: Paragraph 0161; 0162
[4] Patent: CN105037360, 2016, B. Location in patent: Paragraph 0205; 0206; 0207
[5] Patent: WO2015/104677, 2015, A1. Location in patent: Page/Page column 69 |
| | Methyl 3-AMino-5-broMo-2-Methylbenzoate Preparation Products And Raw materials |
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