| Identification | Back Directory | [Name]
2-Chloro-5-acetylpyridine | [CAS]
55676-22-7 | [Synonyms]
6-CHLORO-3-ACETYLPYRIDINE
5-Acetyl-2-chloropyridine
3-Acetyl-6-chloropyridine
2-CHLORO-5-ACETYLPYRIDINE
5-Acetyl-2-chloropyridine >
1-(6-Chlorpyridin-3-yl)ethanon
1-(6-CHLOROPYRIDIN-3-YL)ETHANONE
1-(6-chloro-3-pyridinyl)ethanone
1-(6-CHLORO-3-PYRIDINYL)-1-ETHANON
Ethanone, 1-(6-chloro-3-pyridinyl)-
1-(6-CHLORO-3-PYRIDINYL)-1-ETHANONE
1-(6-Chloropyridin-3-yl)ethan-1-one
1-(6-CHLOROPYRIDIN-3-YL)ETHANONE ,97%
1-(6-Chloro-3-Pyridinyl)-1-Ethanone(WX626037)
2-Chloro-5-acetylpyridine ISO 9001：2015 REACH
1-(6-Chloropyridin-3-yl)ethan-1-one, 2-Chloro-5-ethanoylpyridine | [Molecular Formula]
C7H6ClNO | [MDL Number]
MFCD03407343 | [MOL File]
55676-22-7.mol | [Molecular Weight]
155.58 |
| Chemical Properties | Back Directory | [Melting point ]
98 °C | [Boiling point ]
280.5±20.0 °C(Predicted) | [density ]
1.233±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-2.14±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
InChI=1S/C7H6ClNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3 | [InChIKey]
UXSNZYGTQTXRAD-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=C(Cl)N=C1)C | [CAS DataBase Reference]
55676-22-7 |
| Hazard Information | Back Directory | [Synthesis]
Step 3 Synthesis of 1-(6-chloropyridin-3-yl)ethanone: Dimethyl 2-(6-chloronicotinoyl)malonate (89.8 g, 331 mmol) was dissolved in a solvent mixture of DMSO (445 mL) and water (11 mL), and the reaction was heated for 2.5 hr at 130 °C. After the reaction was completed, the reaction mixture was cooled and poured into H2O/ice (300 mL). The aqueous phase was extracted with EtOAc (4 x 150 mL). The organic phases were combined, washed with brine, dried and concentrated under reduced pressure. The residue was recrystallized by 60% ethanol-water solution to afford the target compound 1-(6-chloropyridin-3-yl)ethanone in a yield of 16.5 g (32% yield) as a yellow solid. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 23, p. 6093 - 6096
[2] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 24, p. 6482 - 6485
[3] Patent: US2007/27184, 2007, A1. Location in patent: Page/Page column 17; 19
[4] Tetrahedron, 1992, vol. 48, # 42, p. 9233 - 9236
[5] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 18, p. 3041 - 3044 |
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