2-Amino-5-bromo-3-fluorobenzoic acid

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2-Amino-5-bromo-3-fluorobenzoic acid Basic information
Product Name:2-Amino-5-bromo-3-fluorobenzoic acid
Synonyms:BUTTPARK 51\07-22;Benzoic acid, 2-amino-5-bromo-3-fluoro-;2-amino-3-fluoro-5-bromobenzoic acid;2-Amino-5-bromo-3-fluorobenzoic acid
CAS:874784-14-2
MF:C7H5BrFNO2
MW:234.02
EINECS:
Product Categories:
Mol File:Mol File
2-Amino-5-bromo-3-fluorobenzoic acid Structure
2-Amino-5-bromo-3-fluorobenzoic acid Chemical Properties
Boiling point 321.7±42.0 °C(Predicted)
density 1.877±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka4.21±0.10(Predicted)
form very claggy powder
color Off white to faint cream/beige
InChIInChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKeyCLJZODGTJUYULK-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC(Br)=CC(F)=C1N
Safety Information
HS Code 2916310090
MSDS Information
2-Amino-5-bromo-3-fluorobenzoic acid Usage And Synthesis
Synthesis
2-Amino-3-fluorobenzoic acid

825-22-9

2-AMINO-5-BROMO-3-FLUOROBENZOIC ACID

874784-14-2

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
2-Amino-5-bromo-3-fluorobenzoic acid Preparation Products And Raw materials
Raw materials2-Amino-3-fluorobenzoic acid-->N-Bromosuccinimide-->N,N-Dimethylformamide
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