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| | 6-Chloropyrazine-2-carboxylic acid Basic information |
| Product Name: | 6-Chloropyrazine-2-carboxylic acid | | Synonyms: | 2-Chloro-6-pyrazinecarboxylicacid;6-Chloropyrazine-2-carbox...;6-Chloro-pyrazine-2-acid;6-chloro-2-pyrazinecarboxylic acid(SALTDATA: FREE);6-Chloropyrazine-2-carboxylic acid;C90116;2-Chloro-6-carboxypyrazine;6-Chloro-pyrazinecarboxylic acid,(8CI,9CI) | | CAS: | 23688-89-3 | | MF: | C5H3ClN2O2 | | MW: | 158.54 | | EINECS: | | | Product Categories: | | | Mol File: | 23688-89-3.mol |  |
| | 6-Chloropyrazine-2-carboxylic acid Chemical Properties |
| Melting point | 158-160 °C | | Boiling point | 323.6±37.0 °C(Predicted) | | density | 1.579±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 2.54±0.10(Predicted) | | form | Solid | | color | Light yellow to Brown | | InChI | InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10) | | InChIKey | KGGYMBKTQCLOTE-UHFFFAOYSA-N | | SMILES | C1(C(O)=O)=NC(Cl)=CN=C1 |
| HazardClass | IRRITANT | | HS Code | 2933998090 |
| | 6-Chloropyrazine-2-carboxylic acid Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 6-chloropyrazine-2-carboxylic acid from methyl 6-chloropyrazine-2-carboxylate: 6-chloropyrazine-2-carboxylic acid methyl ester (1.78 g, 10.3 mmol) was dissolved in ethanol (25 mL). 1 M sodium hydroxide solution (25 mL) was added and the reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the mixture was acidified to pH 3 with 1 M aqueous hydrochloric acid solution. subsequently, the reaction mixture was diluted with water (150 mL) and extracted with ethyl acetate (4 × 100 mL). The organic phases were combined, washed with saturated saline (100 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford the title compound 6-chloropyrazine-2-carboxylic acid as a white solid (1.54 g, 94% yield). Mass spectrum (DCI/NH3) m/z 176 (M + NH4)+. | | References | [1] Patent: US2009/281118, 2009, A1. Location in patent: Page/Page column 14
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 21, p. 7678 - 7692 |
| | 6-Chloropyrazine-2-carboxylic acid Preparation Products And Raw materials |
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