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5-CYANO-2-FLUOROBENZOIC ACID

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Products Intro: Product Name:5-cyano-2-fluorobenzoic acid
CAS:146328-87-2
Purity:98%(Min,HPLC) Package:1G;1KG;100KG
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CAS:146328-87-2
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Products Intro: Product Name:5-CYANO-2-FLUOROBENZOIC ACID
CAS:146328-87-2
Purity:0.99 Package:5KG;1KG

5-CYANO-2-FLUOROBENZOIC ACID manufacturers

5-CYANO-2-FLUOROBENZOIC ACID Basic information
Product Name:5-CYANO-2-FLUOROBENZOIC ACID
Synonyms:3-Carboxy-4-fluorobenzonitrile;5-CYANO-2-FLUOROBENZOIC ACID 5-;Benzoic acid,5-cyano-2-fluoro-
CAS:146328-87-2
MF:C8H4FNO2
MW:165.12
EINECS:
Product Categories:
Mol File:146328-87-2.mol
5-CYANO-2-FLUOROBENZOIC ACID Structure
5-CYANO-2-FLUOROBENZOIC ACID Chemical Properties
Melting point 187-189°
Boiling point 322.1±27.0 °C(Predicted)
density 1.42±0.1 g/cm3(Predicted)
Fp >110°
storage temp. Sealed in dry,Room Temperature
pka2.71±0.10(Predicted)
form wooly crystalline powder
color White
Safety Information
RIDADR UN3439
HazardClass 6.1
HS Code 2926907090
MSDS Information
5-CYANO-2-FLUOROBENZOIC ACID Usage And Synthesis
Chemical Properties5-Cyano-2-fluorobenzoic acid contains several reaction sites in its structure and shows good chemical reaction activity, and it can undergo chlorination reaction under the action of dichlorosulfoxide. It can also undergo a condensation reaction with organic amines under the action of a condensation agent, and can be used in the preparation of the corresponding amide derivatives.
Synthesis
Methyl 5-cyano-2-fluorobenzoate

337362-21-7

5-CYANO-2-FLUOROBENZOIC ACID

146328-87-2

The general procedure for the synthesis of 2-fluoro-5-cyanobenzoic acid from methyl 5-cyano-2-fluorobenzoate was as follows: to a solution of ethanol (50 mL) containing methyl 5-cyano-2-fluorobenzoate (3.0 g, 16.8 mmol) was added a 40% aqueous solution of KOH (15 mL). The reaction mixture was heated to 45 °C and stirred continuously for 2 h until all solids were completely dissolved. Upon completion of the reaction, the mixture was cooled to room temperature and partially concentrated under reduced pressure. Subsequently, the reaction mixture was diluted with ethyl acetate (EtOAc) and acidified with 10% aqueous hydrochloric acid. The organic and aqueous layers were separated and the aqueous layer was further extracted with ethyl acetate (3 x 20 mL). All organic extracts were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford the target product 2-fluoro-5-cyanobenzoic acid (3.0 g, 16.4 mmol, 98% yield). Mass spectrometry analysis (DCI/NH3) showed m/z 183 (M+NH4)+.

References[1] Patent: US2010/69348, 2010, A1. Location in patent: Page/Page column 60
[2] Patent: US2010/63022, 2010, A1. Location in patent: Page/Page column 35
[3] Patent: US2011/294780, 2011, A1. Location in patent: Page/Page column 140
5-CYANO-2-FLUOROBENZOIC ACID Preparation Products And Raw materials
Raw materialsMethyl 5-cyano-2-fluorobenzoate-->5-CYANO-2-FLUOROBENZALDEHYDE-->Ethanol-->Ethyl acetate-->Potassium hydroxide-->Water-->Hydrochloric acid
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