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| | 3-Pyridineacrylic acid Basic information |
| | 3-Pyridineacrylic acid Chemical Properties |
| Melting point | 232-235 °C (dec.)(lit.) | | Boiling point | 270.21°C (rough estimate) | | density | 1.2517 (rough estimate) | | refractive index | 1.5320 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly, Heated) | | pka | 3.13±0.10(Predicted) | | form | Solid | | color | White | | InChI | InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11) | | InChIKey | VUVORVXMOLQFMO-UHFFFAOYSA-N | | SMILES | C(O)(=O)C=CC1=CC=CN=C1 | | CAS DataBase Reference | 1126-74-5(CAS DataBase Reference) |
| | 3-Pyridineacrylic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 3-Pyridineacrylic Acid is an inhibitor of peptidylglycine amidating monooxygenase. | | Synthesis | To a solution of butyl 3-(pyridin-3-yl)prop-2-enoate (70 g, 341 mmol, 1.00 equiv) in ethanol (150 mL) was added a solution of potassium hydroxide (40 g, 712.94 mmol, 2.09 equiv) in water (150 mL). The reaction mixture was stirred at room temperature for 20 hours. Upon completion of the reaction, the pH of the solution was adjusted to 6 with 12 M hydrochloric acid.The precipitate was collected by filtration to give 50 g (98% yield) of trans-3-(3-pyridyl)acrylic acid as an off-white solid.LCMS analysis (Method C, electrospray ionization, m/z): retention time = 0.78 min, m/z = 149.9 [M+H]+. | | References | [1] Patent: WO2014/74715, 2014, A1. Location in patent: Paragraph 0170
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 3, p. 770 - 792 |
| | 3-Pyridineacrylic acid Preparation Products And Raw materials |
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