| Identification | Back Directory | [Name]
2-Chloro-3-pyridineacetic acid | [CAS]
61494-55-1 | [Synonyms]
2-Chloro-3-pyridineacetic acid
2-(2-chloropyridin-3-yl)acetic
2-Chloropyridine-3-acetic acid
(2-Chloro-3-pyridyl)acetic Acid
3-Pyridineacetic acid, 2-chloro-
2-(2-Chloropyridin-3-yl)aceticaci
2-(2-chloro-3-pyridyl)acetic acid
3-(Carboxymethyl)-2-chloropyridine
2-CHLORO-PYRIDINE-3-YL-ACETIC ACID
2-(2-chloropyridin-3-yl)acetic acid
(2-CHLORO-PYRIDIN-3-YL)-ACETIC ACID
(2-Chloropyridin-3-yl)acetic acid 95+%
2-Chloro-3-pyridineacetic acid ISO 9001：2015 REACH | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD09757512 | [MOL File]
61494-55-1.mol | [Molecular Weight]
171.58 |
| Chemical Properties | Back Directory | [Melting point ]
203-204 °C(Solv: benzene (71-43-2)) | [Boiling point ]
336.6±27.0 °C(Predicted) | [density ]
1.405±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
3.79±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C7H6ClNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11) | [InChIKey]
NOASBJYTBZMVKT-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=CC=C1CC(O)=O |
| Hazard Information | Back Directory | [Uses]
2-(2-Chloropyridin-3-yl)acetic Acid can be prepared to use as RORγ agonists for the treatment of cancer. | [Synthesis]
General procedure for the synthesis of 2-chloropyridine-3-acetic acid from (2-chloropyridin-3-yl)acetonitrile: 15% w/w NaOH solution (15 mL) was added to (2-chloropyridin-3-yl)acetonitrile (0.932 g, 6.1 mmol). The reaction mixture was heated to reflux for 35 min and subsequently cooled to room temperature. The mixture was further cooled to 0 °C and acidified to pH 1 with concentrated hydrochloric acid (about 5 mL of hydrochloric acid was required). The resulting suspension was allowed to stand in an ice bath for 1 hour. The precipitate was collected by filtration and washed with cold isopropanol (3 x 15 mL) to afford 2-chloropyridine-3-acetic acid (1.05 g, 100% yield) as an off-white solid.1H NMR (400 MHz, d6-DMSO) δ 12.63 (s, 1H), 8.32 (dd, J = 4.8, 1.9 Hz, 1H), 7.86 (dd, J = 7.5, 1.9 Hz, 1H). 1.9 Hz, 1H), 7.41 (dd, J = 7.5, 4.8 Hz, 1H), 3.75 (s, 2H).LCMS Method C: Retention time 4.06 min; m/z 172 [M+H]+. | [References]
[1] Patent: WO2012/110773, 2012, A1. Location in patent: Page/Page column 138; 139
[2] Patent: WO2014/27199, 2014, A1. Location in patent: Page/Page column 141
[3] Patent: WO2009/13462, 2009, A1. Location in patent: Page/Page column 26
[4] Patent: WO2009/93008, 2009, A1. Location in patent: Page/Page column 25-26
[5] Patent: WO2009/153554, 2009, A1. Location in patent: Page/Page column 36 |
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