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| | tert-Butyl 4-(bromomethyl)benzoate Basic information |
| Product Name: | tert-Butyl 4-(bromomethyl)benzoate | | Synonyms: | 4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER;TERT-BUTYL P-(BROMOMETHYL) BENZOATE;4-Bromomethyl-benzoic acid tert-butyl ester;t-butyl-4-bromomethylbenzoate;1,1-DIMETHYLETHYL 4-(BROMOMETHYL)BENZOATE;4-BROMO METHYL BENZOIC ACID MONO TERT-BUTYL ESTER;tert-Butyl 4-(bromomethyl)benzoate;4-Benzoic acid mono tert-butyl ester | | CAS: | 108052-76-2 | | MF: | C12H15BrO2 | | MW: | 271.15 | | EINECS: | 691-573-1 | | Product Categories: | | | Mol File: | 108052-76-2.mol |  |
| | tert-Butyl 4-(bromomethyl)benzoate Chemical Properties |
| Melting point | 53-55 °C | | Boiling point | 320.9±25.0 °C(Predicted) | | density | 1.313±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2)(1:3): .25 mg/ml | | form | A crystalline solid | | InChI | InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3 | | InChIKey | GSIBTIUXYYFCPU-UHFFFAOYSA-N | | SMILES | C(OC(C)(C)C)(=O)C1=CC=C(CBr)C=C1 | | CAS DataBase Reference | 108052-76-2(CAS DataBase Reference) |
| | tert-Butyl 4-(bromomethyl)benzoate Usage And Synthesis |
| Description | tert-butyl p-(bromomethyl) Benzoate is a synthetic intermediate useful for pharmaceutical synthesis.WARNING This product is not for human or veterinary use. | | Synthesis |
To a solution of substituted toluene in carbon tetrachloride were added N-bromosuccinimide (1.1 equiv) and 2,2'-azobis(isobutyronitrile) (0.15 equiv). The mixture was refluxed, then filtered and concentrated. The residue was purified by silica gel column chromatography to give tert-Butyl 4-(bromomethyl)benzoate.
| | References | [1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 10, p. 3156 - 3172
[2] Angewandte Chemie - International Edition, 2007, vol. 46, # 46, p. 8869 - 8871
[3] Journal of Medicinal Chemistry, 1989, vol. 32, # 3, p. 709 - 715
[4] Patent: CN108329259, 2018, A. Location in patent: Paragraph 0047; 0052
[5] European Journal of Medicinal Chemistry, 2018, vol. 152, p. 175 - 194 |
| | tert-Butyl 4-(bromomethyl)benzoate Preparation Products And Raw materials |
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