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Methyl 2-bromo-4-fluorobenzoate

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Company Name: Shanghai Boke Pharmaceutical Technology Co., Ltd.  Gold
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Methyl 2-bromo-4-fluorobenzoate Basic information
Uses
Product Name:Methyl 2-bromo-4-fluorobenzoate
Synonyms:METHYL 2-BROMO-4-FLUOROBENZOATE;Methyl 2-bromo-4-fluorobenzoate 98%;Methyl2-bromo-4-fluorobenzoate98%;RARECHEM AL BF 1088;methyl 2-bromo-4-fluorobenzenecarboxylate;Methyl 4-fluoro-2-bromobenzoate;5-fluoro-2-(methoxycarbonyl)bromobenzene;Benzoic acid, 2-broMo-4-fluoro-, Methyl ester
CAS:653-92-9
MF:C8H6BrFO2
MW:233.03
EINECS:
Product Categories:blocks;Bromides;Carboxes;FluoroCompounds
Mol File:653-92-9.mol
Methyl 2-bromo-4-fluorobenzoate Structure
Methyl 2-bromo-4-fluorobenzoate Chemical Properties
Boiling point 75-78/1mm
density 1.577
Fp 100℃
storage temp. Sealed in dry,Room Temperature
AppearanceColorless to light yellow Liquid
InChIInChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChIKeyJENBPOJAZCPSEW-UHFFFAOYSA-N
SMILESC(OC)(=O)C1=CC=C(F)C=C1Br
Safety Information
Hazard Codes Xi,Xn
Risk Statements 22
HazardClass IRRITANT
HS Code 2916399090
MSDS Information
Methyl 2-bromo-4-fluorobenzoate Usage And Synthesis
UsesMethyl 2-bromo-4-fluorobenzoate is a carboxylic acid ester derivative used as an organic intermediate.
Chemical Propertiesoff-white powder
SynthesisDBU (1.7 equiv, 1.16 mL, 7.76 mmol) was added to a solution of 2-bromo-4-fluorobenzoicacid (1.0equiv, 1.0 g, 4.57 mmol) and iodomethane (2.0 equiv, 0.57 mL, 9.14 mmol) in CH3CN(11 mL) at 23 °C. After stirring for 48 h, the reaction was quenched with H2O(10 mL) and extracted with Et2O (2 x 10 mL). The combined organic extracts were washed with water (20 mL) and brine (20 mL), dried over Na2SO4 and filtrated. Evaporation of the solvent under reduced pressure followed by flash chromatography (SiO2, 95/5 hexane/EtOAc) afforded 1.0 g (98%)of Methyl 2-bromo-4-fluorobenzoate as a colourless oil.
References[1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 20, p. 4393 - 4398
[2] Patent: US6407250, 2002, B1
[3] Patent: US6511999, 2003, B2
[4] Patent: US2002/128233, 2002, A1
[5] Patent: US2004/162323, 2004, A1
Tag:Methyl 2-bromo-4-fluorobenzoate(653-92-9) Related Product Information
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