| Identification | Back Directory | [Name]
1-PYRIDIN-2-YL-PROPAN-2-ONE | [CAS]
6302-02-9 | [Synonyms]
2-acetonylpyridine
(2-pyridyl)acetone
CHEMBRDG-BB 4301932
1-(2-pyridyl)acetone
2-picolylmethylketone
1-PYRIDIN-2-YLACETONE
1-(2-pyridyl)-2-propanon
1-(2-pyridyl)-2-propanone
1-(2-pyridyl)propan-2-one
1-(2’-pyridyl)-propan-2-on
1-PYRIDIN-2-YL-PROPAN-2-ONE
2-Propanone, 1-(2-pyridyl)-
2-Propanone, 1-(2-pyridinyl)
1-(2'-Pyridyl)-propan-2-on [german]
1-pyridin-2-ylacetone(SALTDATA: FREE)
1-PYRIDIN-2-YL-PROPAN-2-ONE（WS203327）
1-PYRIDIN-2-YL-PROPAN-2-ONE ISO 9001：2015 REACH | [Molecular Formula]
C8H9NO | [MDL Number]
MFCD00092717 | [MOL File]
6302-02-9.mol | [Molecular Weight]
135.16 |
| Chemical Properties | Back Directory | [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 |
| Safety Data | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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