Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester
tert-butyl 4-bromo-2-nitro-benzoate
CAS: 890315-72-7
Molecular Formula: C11H12BrNO4
Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester - Names and Identifiers
| Name | tert-butyl 4-bromo-2-nitro-benzoate |
| Synonyms | t-Butyl 4-bromo-2-nitrobenzoate tert-Butyl 4-bromo-2-nitrobenzoate tert-butyl 4-bromo-2-nitro-benzoate 4-Bromo-2-nitrobenzoic acid tert butyl ester Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester |
| CAS | 890315-72-7 |
| InChI | InChI=1/C11H12BrNO4/c1-11(2,3)17-10(14)8-5-4-7(12)6-9(8)13(15)16/h4-6H,1-3H3 |
Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester - Physico-chemical Properties
| Molecular Formula | C11H12BrNO4 |
| Molar Mass | 302.12 |
| Density | 1.474g/cm3 |
| Boling Point | 353.5°C at 760 mmHg |
| Flash Point | 167.6°C |
| Vapor Presure | 3.56E-05mmHg at 25°C |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.558 |
Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Note | Irritant |
Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester - Reference Information
| Use | 4-bromo-2-nitrobenzoic acid tert-butyl ester can be used as a pharmaceutical synthesis intermediate, it can be prepared by reacting 4-bromo-2-nitrobenzoic acid with 2-bromo-2-methylpropane, and can be used to prepare tert-butyl 2-amino-4-bromobenzoate, the compound can also be widely used as a pharmaceutical synthesis intermediate. |
| preparation | to a solution containing 5.0 of 4-bromo-2-nitrobenzoic acid in 50ml of N,N-dimethylacetamide, 41g of potassium carbonate, 4.6g of benzyltriethylammonium chloride and 69ml of 2-bromo-2-methylpropane were stirred at 55 °c for 10 hours. After the reaction mixture was cooled to room temperature, 12mL of 2-bromo-2-methylpropane was added and stirred at 55 °c for 4 hours. After the reaction mixture was cooled to room temperature, water and ethyl acetate were added. The organic layer was separated and, after sequentially washing with a 10% aqueous citric acid solution and a saturated aqueous sodium chloride solution, dried over anhydrous magnesium sulfate and the solvent was evaporated under reduced pressure. Methanol was added to the obtained residue and the solid matter was separated by filtration to give 3.0 of tert-butyl 4-bromo-2-nitrobenzoate as a white solid. 1H-NMR(CDCl3)δ:1.55(9h, s),7.63(1H,d,J = 8.3Hz),7.77(1H,dd,J = 8.3,1.9Hz),7.95(1H,d,J = 1.9Hz). |
Last Update：2024-04-09 20:52:54
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Benzoic acid, 4-bromo-2-nitro-, 1,1-dimethylethyl ester
BOC-L-TYR(ME)
10-(2-DIMETHYLAMINOPROPYL)-PHENOTHIAZIN
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BOC-L-TYR(ME)
10-(2-DIMETHYLAMINOPROPYL)-PHENOTHIAZIN
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