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| | 2-(6-Chloropyridin-3-yl)acetic acid Basic information |
| | 2-(6-Chloropyridin-3-yl)acetic acid Chemical Properties |
| Melting point | 164-169°C | | Boiling point | 336.6±27.0 °C(Predicted) | | density | 1.405±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 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 Codes | Xi,Xn | | Risk Statements | 22 | | HazardClass | IRRITANT | | HS Code | 2933399990 |
| | 2-(6-Chloropyridin-3-yl)acetic acid Usage And Synthesis |
| 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 |
| | 2-(6-Chloropyridin-3-yl)acetic acid Preparation Products And Raw materials |
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