ChemicalBook--->CAS DataBase List--->894074-85-2

894074-85-2

894074-85-2 Structure

894074-85-2 Structure
IdentificationBack Directory
[Name]

Ethyl 2-chloro-5-Methylnicotinate
[CAS]

894074-85-2
[Synonyms]

Ethyl 2-chloro-5-Methylnicotinate
ethyl 2-chloro-5-methyl-pyridine-3-carboxylate
3-Pyridinecarboxylic acid, 2-chloro-5-methyl-, ethyl ester
[Molecular Formula]

C9H10ClNO2
[MDL Number]

MFCD16610952
[MOL File]

894074-85-2.mol
[Molecular Weight]

199.63
Chemical PropertiesBack Directory
[Boiling point ]

285.7±35.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-0.92±0.10(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2-chloro-5-Methylnicotinate(894074-85-2)1HNMR
Ethyl 2-chloro-5-Methylnicotinate(894074-85-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethanol

64-17-5

2-Chloro-5-methylpyridine-3-carboxylic acid

66909-30-6

Ethyl 2-chloro-5-Methylnicotinate

894074-85-2

General procedure for the synthesis of ethyl 2-chloro-5-methylnicotinate from ethanol and 2-chloro-5-methylnicotinic acid: to a solution of 2-chloro-5-methylnicotinic acid (3.90 g, 22.7 mmol) in dichloromethane (DCM, 100 mL) was added oxaloyl chloride (9.95 mL, 114 mmol) followed by 1 drop of N,N-dimethylformamide (DMF). The reaction mixture was stirred at room temperature for 30 min, followed by evaporation of the solvent under vacuum. The resulting residue was dissolved in ethanol (EtOH, 66 mL) and stirring was continued for 2 h, after which the solvent was again evaporated under vacuum. The crude product was purified by fast column chromatography (silica gel SiO2, 120 g, eluent was a gradient solution of 0-50% dichloromethane in isohexane) to afford the target compound ethyl 2-chloro-5-methylnicotinate as a colorless oil (3.71 g, 82% yield).1H NMR (δ): 1.32 (3H, t), 2.34 (3H, s), 4.34 (2H , q), 8.06-8.07 (1H, m), 8.41-8.43 (1H, m). [Ref: Yamamoto S. et al, Bioorg. Med. Chem. 2012, 20, 422-434.]

[References]

[1] Patent: WO2016/55791, 2016, A1. Location in patent: Page/Page column 12
[2] Patent: WO2017/175000, 2017, A1. Location in patent: Page/Page column 28
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