ChemicalBook--->CAS DataBase List--->942282-40-8

942282-40-8

942282-40-8 Structure

942282-40-8 Structure
IdentificationBack Directory
[Name]

4-BROMO-3-FLUOROPHENYLACETIC ACID
[CAS]

942282-40-8
[Synonyms]

4-BROMO-3-FLUOROPHENYLACETIC ACID
2-(4-broMo-3-fluorophenyl)acetic acid
benzeneacetic acid, 4-bromo-3-fluoro-
4-Bromo-3-fluorophenylacetic acid 98%
4-BROMO-3-FLUOROPHENYLACETIC ACID ISO 9001:2015 REACH
[Molecular Formula]

C8H6BrFO2
[MDL Number]

MFCD12756200
[MOL File]

942282-40-8.mol
[Molecular Weight]

233.034
Chemical PropertiesBack Directory
[Boiling point ]

317.9±27.0 °C(Predicted)
[density ]

1.697±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

3.97±0.10(Predicted)
[color ]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2916399090
Hazard InformationBack Directory
[Chemical Properties]

off-white solid
[Synthesis]

3-Fluoro-4-Bromoobenzyl Cyanide

499983-13-0

4-BROMO-3-FLUOROPHENYLACETIC ACID

942282-40-8

General procedure for the synthesis of 2-(4-bromo-3-fluorophenyl)acetic acid from 3-fluoro-4-bromophenylacetonitrile: 3-fluoro-4-bromophenylacetonitrile (0.78 g, 3.64 mmol) was dissolved in a mixture of sulphuric acid (5 mL) and water (5 mL), and the reaction was stirred for 16 hours at 100 °C. The progress of the reaction was monitored by LCMS and after confirming complete consumption of the raw materials, the reaction mixture was dissolved in water (20 mL) and extracted with ethyl acetate (20 mL). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford 2-(4-bromo-3-fluorophenyl)acetic acid (0.7 g, 2.046 mmol, 56.1% yield) as a white solid. The product was characterized by 1H NMR (400 MHz, CD3OD): δ 7.53 (t, J = 7.8 Hz, 1H), 7.16 (dd, J = 9.8, 1.9 Hz, 1H), 7.02 (d, J = 8.0 Hz, 1H), 3.61 (s, 2H).

[References]

[1] Patent: WO2018/39386, 2018, A1. Location in patent: Page/Page column 302
[2] Patent: US2014/275111, 2014, A1. Location in patent: Paragraph 0349; 0350
[3] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 76
[4] Patent: WO2007/69986, 2007, A1. Location in patent: Page/Page column 92-93
[5] Patent: WO2017/98440, 2017, A1. Location in patent: Page/Page column 184
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-3-FLUOROPHENYLACETIC ACID(942282-40-8)1HNMR
4-BROMO-3-FLUOROPHENYLACETIC ACID(942282-40-8)FT-IR
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