| Identification | More | [Name]
2-CHLOROPYRIDINE-5-ACETIC ACID | [CAS]
39891-13-9 | [Synonyms]
2-CHLOROPYRIDINE-5-ACETIC ACID
(2-CHLOROPYRIDYL)-5-ACETIC ACID
(6-CHLORO-PYRIDIN-3-YL)-ACETIC ACID
6-CHLOROPYRIDINE-3-ACETIC ACID
2-Chloropyridin-5-ylacetic acid 95%
2-(6-CHLOROPYRIDIN-3-YL)ACETIC ACID
2-Chloropyridin-5-ylacetic acid
6-Chloro-3-pyridineacetic acid, 97% | [EINECS(EC#)]
670-360-7 | [Molecular Formula]
C7H6ClNO2 | [MDL Number]
MFCD01863172 | [Molecular Weight]
171.58 | [MOL File]
39891-13-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
164-169°C | [Boiling point ]
336.6±27.0 °C(Predicted) | [density ]
1.405±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder | [pka]
3.91±0.10(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C7H6ClNO2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H,10,11) | [InChIKey]
XWVPSJPQWOVRHJ-UHFFFAOYSA-N | [SMILES]
C1=NC(Cl)=CC=C1CC(O)=O | [CAS DataBase Reference]
39891-13-9(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
2-(6-Chloropyridin-3-yl)acetic acid is a nitrogen-containing heterocyclic fatty acid. Nitrogen-containing heterocyclic fatty acids play an important role in drug synthesis research, such as ibuprofen and indoleacetic acid, which have been used as drugs.
| [Synthesis]
S1: 8.72 mmol of 2-chloro-5-chloromethylpyridine, zinc powder (catalyst), lithium chloride (co-catalyst), and the solvent DMF (2.8-2.9 mL per mmol of 2-chloro-5-chloromethylpyridine) were added to a high-pressure reactor.S2: Carbon dioxide was poured into the reactor to bring the pressure up to 3 MPa, and the reaction was subsequently carried out for 15 h at 40 °C.S3: Reaction After completion, the reaction mixture was acidified by adding dilute hydrochloric acid to the reaction mixture, extracted with ethyl acetate, the organic phases were combined and the solvent was removed by rotary evaporator. Finally, the product was dried under vacuum to obtain 2-chloropyridine-5-acetic acid. Note: The molar ratio of 2-chloro-5-chloromethylpyridine, zinc powder and lithium chloride is 1:3:3. | [References]
[1] Patent: CN108218768, 2018, A. Location in patent: Paragraph 0015-0020; 0024 |
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