ChemicalBook--->CAS DataBase List--->881189-65-7

881189-65-7

881189-65-7 Structure

881189-65-7 Structure
IdentificationBack Directory
[Name]

3-(4-chloro-3-fluorophenyl)propanoic acid
[CAS]

881189-65-7
[Synonyms]

3-(4-Chloro-3-fluorophenyl)
4-chloro-3-fluoroBenzenepropanoic acid
3-(4-chloro-3-fluorophenyl)propanoic acid
Benzenepropanoic acid, 4-chloro-3-fluoro-
3-(4-Chloro-3-fluorophenyl)propionicacid,96%
[Molecular Formula]

C9H8ClFO2
[MDL Number]

MFCD04116058
[MOL File]

881189-65-7.mol
[Molecular Weight]

202.611
Chemical PropertiesBack Directory
[Melting point ]

80-84℃
[storage temp. ]

Store at room temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-chloro-3-fluorophenyl)propanoic acid(881189-65-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-CHLORO-3-FLUOROCINNAMIC ACID

202982-66-9

3-(4-chloro-3-fluorophenyl)propanoic acid

881189-65-7

General procedure for the synthesis of 3-(4-chloro-3-fluorophenyl)propionic acid from 4-chloro-3-fluorocinnamic acid: 3-(4-chloro-3-fluorophenyl)acrylic acid (6.000 g, 29.91 mmol, 1.0 eq.), ZnBr2 (1.346 g, 5.98 mmol, 0.2 eq.), and 10% Pd/C (600 mg, 10 mass%) were The mixture was placed under nitrogen atmosphere followed by addition of methanol (500 ml). The resulting black suspension was evacuated and then charged with hydrogen (1 atm) and this operation was repeated three times. The reaction mixture was stirred vigorously at room temperature for 14 hours. Upon completion of the reaction, it was filtered through a diatomaceous earth pad and the filtrate was concentrated to dryness under reduced pressure and subsequently dried under high vacuum to afford 3-(4-chloro-3-fluorophenyl)propionic acid as a white solid (6.010 g, 99% yield).LC-MS analysis: retention time tR = 0.91 min; [M + H]+: no ionization peak was observed.

[References]

[1] Patent: US2011/105514, 2011, A1. Location in patent: Page/Page column 18
[2] Patent: WO2009/156951, 2009, A2. Location in patent: Page/Page column 37-38
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