| Identification | Back Directory | [Name]
4-Bromo-2-fluorophenylacetic acid | [CAS]
114897-92-6 | [Synonyms]
4-Bromo-2-fluorophenylacetic acid
4-Bromo-2-fluorophenylaceticacid,98%
Benzeneacetic acid, 4-bromo-2-fluoro-
4-Bromo-2-fluorophenylacetic acid ISO 9001：2015 REACH | [Molecular Formula]
C8H6BrFO2 | [MDL Number]
MFCD09032952 | [MOL File]
114897-92-6.mol | [Molecular Weight]
233.034 |
| Chemical Properties | Back Directory | [Melting point ]
123-126° | [Boiling point ]
320.4±27.0 °C(Predicted) | [density ]
1.697±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
3.89±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) | [InChIKey]
PNBIYFPZODYMOO-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=C(Br)C=C1F |
| Hazard Information | Back Directory | [Uses]
4-Bromo-2-fluorophenylacetic acid is a carboxylic acid organic compound, which can be used as a pharmaceutical intermediate for pharmaceutical synthesis and scientific research. | [Synthesis]
To a stirred solution of 2-(4-bromo-2-fluorophenyl)acetonitrile (397 g, 1.82 mol) in MeOH (500 mL) was added NaOH solution (2.22 L, 2.5 mol) in one portion at 20 °C under N2 M, 5.56 mol). The reaction mixture was stirred at 80 °C for 5 h. The solution was then concentrated and neutralized to pH=5 with Chemicalbook concentrated HCl with stirring. The solution was then extracted with EA (1.5Lx2). Two other batches were prepared following the same procedure. Then combine the three batches. The combined organic extracts were washed with saturated brine, dried over Na2SO4, filtered and concentrated in vacuo to give pure 4-bromo-2-fluorophenylacetic acid (1200 g, 92%). | [References]
[1] Patent: US5827863, 1998, A
[2] Patent: US2014/275111, 2014, A1. Location in patent: Paragraph 0232; 0235; 0236
[3] Patent: WO2014/141187, 2014, A1. Location in patent: Page/Page column 44; 54; 57
[4] Patent: WO2011/45703, 2011, A2. Location in patent: Page/Page column 44-45
[5] Patent: WO2016/38519, 2016, A1. Location in patent: Page/Page column 36 |
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