| Identification | More | [Name]
2-Bromo-2-(2'-chlorophenyl) acetic acid | [CAS]
29270-30-2 | [Synonyms]
2-BROMO-2-(2'-CHLOROPHENYL) ACETIC ACID
A-BROMO 2-CHLOROPHENYLACETIC ACID
alpha-Bromo-2-chlorobenzeneacetic acid
ALPHA-BROMO-2-CHLOROPHENYLACETIC ACID
à-bromo-2-chlorophenylacetic acid
A-BROMO-2-CHLOROBENZENEACETIC ACID
L-ALPHA-BROMO-(2-CHLORO)PHENYL ACETIC ACID
α-Bromo-2-chlorobenzeneacetic acid
ɑ-Bromo-2-chlorophenylacetic acid, 98% | [Molecular Formula]
C8H6BrClO2 | [MDL Number]
MFCD03428513 | [Molecular Weight]
249.49 | [MOL File]
29270-30-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
105-108°C | [Boiling point ]
316.7±27.0 °C(Predicted) | [density ]
1.747±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [pka]
2.24±0.10(Predicted) | [color ]
White to Off-White | [InChI]
1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12) | [InChIKey]
XHAPROULWZYBGA-UHFFFAOYSA-N | [SMILES]
OC(=O)C(Br)c1ccccc1Cl | [CAS DataBase Reference]
29270-30-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
36/37/38 | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN3261 | [WGK Germany ]
3 | [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
2916399090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to Off-White Solid | [Uses]
2-Bromo-2-(2-chlorophenyl)acetic Acid is used as an intermediate in the preparation of biologically active compounds such as the antithrombotic Clopidogrel (C587250). | [Synthesis]
Under nitrogen protection, 2.0 g (11.76 mmol) of o-chlorophenylacetic acid (Aldrich) and 2.1 g (11.76 mmol) of N-bromosuccinimide (NBS, Aldrich) were dissolved in 60 mL of carbon tetrachloride (CCI4). Subsequently, 569 mg (2.35 mmol) of benzoyl peroxide (Fluka) was added to the solution. The reaction mixture was stirred at 80°C for 5 hours. After completion of the reaction, the reaction mixture was filtered and the filtrate was concentrated under reduced pressure. The crude product was purified by fast chromatography using a 50 g silica gel column with a solvent mixture of dichloromethane (DCM) and ethyl acetate (AcOEt) (10:0 to 5:5 gradient) as eluent. After removing the solvent under reduced pressure, 2-bromo-o chlorophenylacetic acid (1.7 g, 48% yield) was obtained.1H-NMR (400 MHz, CDCl3) data were as follows: δ 5.95 (1H, s), 7.35 (3H, m), 7.80 (1H, d). | [References]
[1] Patent: WO2008/148853, 2008, A1. Location in patent: Page/Page column 51
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 1, p. 97 - 105
[3] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 2, p. 1355 - 1360
[4] Patent: CN103450005, 2016, B. Location in patent: Paragraph 0051-0053 |
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