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| | METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Basic information |
| Product Name: | METHYL-2-BROMO-4-BROMOMETHYLBENZOATE | | Synonyms: | Methyl 2-bromo-4-(bromomethyl);METHYL-2-BROMO-4-BROMOMETHYLBENZOATE;Benzoic acid, 2-bromo-4-(bromomethyl)-, methyl ester;CAS:128577-48-0;2-bromo-4-bromethyl benzoate | | CAS: | 128577-48-0 | | MF: | C9H8Br2O2 | | MW: | 307.97 | | EINECS: | 1312995-182-4 | | Product Categories: | | | Mol File: | 128577-48-0.mol |  |
| | METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Chemical Properties |
| Melting point | 53 - 56°C | | Boiling point | 340.3±32.0 °C(Predicted) | | density | 1.780±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Slightly), Ethyl Acetate (Soluble) | | form | Solid | | color | White to Off-White | | Stability: | Hygroscopic, Moisture Sensitive | | InChI | InChI=1S/C9H8Br2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,5H2,1H3 | | InChIKey | ZTDXOVAPGGNGSD-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC=C(CBr)C=C1Br |
| | METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Usage And Synthesis |
| Synthesis | General procedure for the synthesis of methyl 2-bromo-4-bromomethylbenzoate from methyl 2-bromo-4-methylbenzoate: the reaction mixture was placed in a controlled microwave synthesizer of the model Biotage Initiator + SP Wave (power range 0-200 W, frequency 2.45 GHz, 60 W capped at steady state) and heated to 120 °C at 1 bar pressure for for several minutes. Upon completion of the reaction, the target product was isolated and purified by column chromatography using ethyl acetate-hexane gradient elution. | | References | [1] Synlett, 2014, vol. 25, # 17, p. 2485 - 2487
[2] Patent: WO2016/89062, 2016, A2. Location in patent: Page/Page column 38; 39
[3] Patent: US2005/70584, 2005, A1. Location in patent: Page/Page column 24
[4] Patent: WO2008/124575, 2008, A1. Location in patent: Page/Page column 144
[5] Patent: WO2017/156165, 2017, A1. Location in patent: Paragraph 00504; 00505 |
| | METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Preparation Products And Raw materials |
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