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| | 1-PYRIDIN-2-YL-PROPAN-2-ONE Basic information |
| Product Name: | 1-PYRIDIN-2-YL-PROPAN-2-ONE | | Synonyms: | 1-pyridin-2-ylacetone(SALTDATA: FREE);1-(2'-Pyridyl)-propan-2-on [german];2-Propanone, 1-(2-pyridinyl);2-Propanone, 1-(2-pyridyl)-;1-PYRIDIN-2-YL-PROPAN-2-ONE;CHEMBRDG-BB 4301932;1-(2-pyridyl)propan-2-one;1-(2’-pyridyl)-propan-2-on | | CAS: | 6302-02-9 | | MF: | C8H9NO | | MW: | 135.16 | | EINECS: | | | Product Categories: | Pyridines;CMLLYL | | Mol File: | 6302-02-9.mol |  |
| | 1-PYRIDIN-2-YL-PROPAN-2-ONE Chemical Properties |
| Boiling point | 175-180℃ (2.50 Torr) | | density | 1.046±0.06 g/cm3 (20℃ 760 Torr) | | refractive index | 1.5310 (589.3 nm 20℃) | | Fp | 85.7±27.8℃ | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Oil | | pka | 4.20±0.12(Predicted) | | color | Orange to Very Dark Red | | InChI | InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3 | | InChIKey | TZTXTIBZSSSFDI-UHFFFAOYSA-N | | SMILES | C(C1=NC=CC=C1)C(=O)C |
| Hazard Codes | Xn | | Risk Statements | 22-37/38-41 | | Safety Statements | 26-39 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 1-PYRIDIN-2-YL-PROPAN-2-ONE Usage And Synthesis |
| Uses | 1-Pyridin-2-yl-propan-2-one is an antimicrobial bioactive compound extracted from Lactarius vellereus fermenting liquor. | | Synthesis | General procedure for the synthesis of 1-pyridin-2-yl-propan-2-one from 2-methylpyridine and acetonitrile: The compound was synthesized in 61% yield as a yellow, slightly air-sensitive oil (boiling point 67 °C, 0.5 mbar) using a method disclosed in 1962. [7] Since spectral data were not reported in the original literature, the following is added for reference: 1H NMR (300 MHz, (CD3)2SO, 298 K): δ= 2.13 (s, 3H, CH3), 3.91 (s, 2H, CH2), 7.28 (m, 2H, pyridine-H), 7.74 (m, 1H, pyridine-H), 8.47 (d, 1H pyridine-H) ppm. 13C NMR (75MHz, (CD3)2SO, 298K): δ= 30.0 (CH3), 52.3 (CH2); 121.9, 124.4, 136.6, 149.2, 155.4 (pyridine-C), 205.4 (C=O) ppm. IR (ATR): ν= 1712 (νC=O), 1652 (νC=N), 1652 (νC=O), 1652 (νC=O), 1652 (νC=O), 1652 (νC=O), 1652 (νC=N) ppm. 1652 (νC=N), 1589 (νpyridine ring), 1473, 1434, 1355, 1156, 751 cm-1. | | References | [1] Inorganica Chimica Acta, 2013, vol. 401, p. 38 - 49
[2] Chemical Communications, 2009, # 14, p. 1891 - 1893
[3] Patent: CN104017004, 2016, B. Location in patent: Paragraph 0039-0043
[4] Journal of Molecular Structure, 2017, vol. 1128, p. 645 - 652 |
| | 1-PYRIDIN-2-YL-PROPAN-2-ONE Preparation Products And Raw materials |
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