| Identification | Back Directory | [Name]
2-(5-bromopyridin-2-yl)acetic acid | [CAS]
192642-85-6 | [Synonyms]
5-BroMopyridin-2-acetic acid
5-BroMo-2-pyridylacetic acid
5-Bromopyridine-2-acetic acid
(5-broMopyridin-2-yl)acetic acid
2-(5-bromopyridin-2-yl)acetic acid
5-BroMo-2-pyridineacetic acid, 98%
2-(5-Bromopyridin-2-yl)ethanoic acid, 5-Bromo-2-(carboxymethyl)pyridine | [Molecular Formula]
C7H6BrNO2 | [MDL Number]
MFCD09999983 | [MOL File]
192642-85-6.mol | [Molecular Weight]
216.04 |
| Chemical Properties | Back Directory | [Melting point ]
120-123℃ | [Boiling point ]
326.2±27.0 °C(Predicted) | [density ]
1.710±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
powder | [pka]
3.81±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C7H6BrNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11) | [InChIKey]
ATKULCGQSLCGEK-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=NC=C(Br)C=C1 | [CAS DataBase Reference]
192642-85-6 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-(5-bromopyridin-2-yl)acetic acid from diethyl malonate: In Example 40, diethyl 2-(5-bromopyridin-2-yl)-malonate (16.6 g, 52.5 mmol) was dissolved in methanol (200 mL) followed by addition of 2N aqueous sodium hydroxide solution (105 mL, 210 mmol). The reaction mixture was stirred at room temperature for 3 h, after which the solvent was removed by vacuum concentration. The residue was dissolved in water and neutralized with 2N hydrochloric acid to pH 3-4. Subsequently, the solid formed was collected by filtration, washed sequentially with water and ether, and dried to give a white solid product that did not require further purification (9.0 g, 80% yield). Results of mass spectrometry analysis: calculated value 215 (MH+), measured value 215 (MH+). | [References]
[1] Patent: US2010/69328, 2010, A1. Location in patent: Page/Page column 36
[2] Patent: WO2016/34673, 2016, A1. Location in patent: Page/Page column 100
[3] Patent: WO2014/53967, 2014, A1. Location in patent: Page/Page column 160; 161 |
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