| Identification | More | [Name]
ETHYL ISONICOTINOYLACETATE | [CAS]
26377-17-3 | [Synonyms]
ASINEX-REAG BAS 07664898
BUTTPARK 18\10-47
ETHYL 3-OXO-3-(4-PYRIDYL)PROPIONATE
ETHYL-4-PYRIDOYL ACETATE
ETHYL ISONICOTINOYLACETATE
ETHYL ISONICOTINYLACETATE
TIMTEC-BB SBB010111
ethyl 3-(4-pyridyl)-3-oxopropionate
4-PYRIDINEPROPANOICACID,B-OXO-,ETHYLESTER
β-Oxo-4-pyridinepropionic acid ethyl ester | [EINECS(EC#)]
247-635-1 | [Molecular Formula]
C10H11NO3 | [MDL Number]
MFCD00094021 | [Molecular Weight]
193.2 | [MOL File]
26377-17-3.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to yellow-brown crystalline powder | [Melting point ]
53-59 °C | [Boiling point ]
169°C/4mmHg(lit.) | [density ]
1.155 | [refractive index ]
1.5100 | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Solid | [pka]
8.61±0.25(Predicted) | [color ]
Pale brown | [InChI]
InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3 | [InChIKey]
PCJNYGPKMQQCPX-UHFFFAOYSA-N | [SMILES]
C1(C=CN=CC=1)C(=O)CC(=O)OCC | [CAS DataBase Reference]
26377-17-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [Hazard Note ]
Irritant | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to yellow-brown crystalline powder | [Synthesis]
GENERAL METHOD: Lithium bis(trimethylsilyl)amide (LiHMDS, 30 mmol) was rapidly added to a mixed solution of tetrahydrofuran (THF, 20 mL) and ethyl acetate (70 mmol) of ethyl isonicotinate (10 mmol) at -40°C, maintained at this temperature and stirred for 20 minutes. Upon completion of the reaction, the reaction mixture was quenched with acetic acid (50 mmol) and subsequently alkalized with 10% sodium bicarbonate (NaHCO3) solution. The reaction mixture was extracted with ethyl acetate (2 x 100 mL) and the organic layers were combined and washed sequentially with water and saturated saline. The organic layer was dried with anhydrous sodium sulfate (Na2SO4). Specific purification steps and characterization data are included for each compound. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 12, p. 4193 - 4197 |
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