| Identification | Back Directory | [Name]
2-AMINO-5-BROMO-3-FLUOROBENZOIC ACID | [CAS]
874784-14-2 | [Synonyms]
BUTTPARK 51\07-22
2-AMINO-5-BROMO-3-FLUOROBENZOIC ACID
Benzoic acid, 2-amino-5-bromo-3-fluoro- | [Molecular Formula]
C7H5BrFNO2 | [MDL Number]
MFCD04035659 | [MOL File]
874784-14-2.mol | [Molecular Weight]
234.02 |
| Chemical Properties | Back Directory | [Boiling point ]
321.7±42.0 °C(Predicted) | [density ]
1.877±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
very claggy powder | [pka]
4.21±0.10(Predicted) | [color ]
Off white to faint cream/beige | [InChI]
InChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12) | [InChIKey]
CLJZODGTJUYULK-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(Br)=CC(F)=C1N |
| Hazard Information | Back Directory | [Synthesis]
Step 1: 2-Amino-3-fluorobenzoic acid (1.0 g, 6.45 mmol) was dissolved in N,N-dimethylformamide (DMF, 10 mL) at -10 °C. Subsequently, a solution of N-bromosuccinimide (NBS, 1.15 g, 6.45 mmol) in DMF (4 mL) was added dropwise to the above solution over 10 min. After the dropwise addition was completed, the reaction mixture was kept at -10°C and stirring was continued for 1 hour. Upon completion of the reaction, the reaction was quenched with aqueous sodium bisulfate (50 mL), at which point a large amount of solid precipitated. The solid product was collected by filtration and dried under vacuum to give 2-amino-5-bromo-3-fluorobenzoic acid (1.2 g, yield: 80%) as a yellow solid. | [References]
[1] Patent: WO2018/17490, 2018, A1. Location in patent: Paragraph 0153; 0154
[2] Patent: WO2015/200534, A2. Location in patent: Paragraph 00535
[2] Patent: , 2015, . Location in patent: Paragraph 00535
[4] Patent: WO2017/158388, 2017, A1. Location in patent: Page/Page column 212
[5] Patent: WO2014/11900, 2014, A2. Location in patent: Page/Page column 77 |
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