ChemicalBook--->CAS DataBase List--->128372-89-4

128372-89-4

128372-89-4 Structure

128372-89-4 Structure
IdentificationBack Directory
[Name]

tert-butyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate
[CAS]

128372-89-4
[Synonyms]

1-Boc-5,6-dihydropyridin-2(1H)-one
tert-Butyl 2-oxo-5,6-dihydropyridine-1(2H)
Tert-butyl 6-oxo-2,3-dihydropyridine-1-carboxylate
tert-butyl 6-oxo-3,6-dihydropyridine-1(2H)-carboxylate
tert-butyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate
tert-butyl 6-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate
6-Oxo-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
1(2H)-Pyridinecarboxylic acid, 5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
[Molecular Formula]

C10H15NO3
[MOL File]

128372-89-4.mol
[Molecular Weight]

197.23
Chemical PropertiesBack Directory
[Boiling point ]

262.3±33.0 °C(Predicted)
[density ]

1.130±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

-1.75±0.20(Predicted)
[Appearance]

Light yellow to brown Liquid
[InChI]

InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4,6H,5,7H2,1-3H3
[InChIKey]

VOVJZEJLJABSJY-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C(OC(C)(C)C)=O)CCC=C1
Safety DataBack Directory
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate(128372-89-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Piperidinecarboxylic acid, 2-oxo-3-(phenylseleno)-, 1,1-dimethylethyl ester

1215765-59-5

tert-butyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate

128372-89-4

A 30% H2O2 solution (2.2 mL, 36 mmol) was slowly added to a stirred tert-butyl 2-oxo-3-(phenylseleno)piperidine-1-carboxylate (4.27 g, 12 mmol) in THF solution (20 mL) at 0 °C. The reaction mixture was continued to be stirred at 0 °C for 15 min, followed by slow warming to room temperature and maintained for 30 min. Upon completion of the reaction, the mixture was dissolved in CH2Cl2 (200 mL) and washed with saturated NaHCO3 solution. The organic phase was dried and concentrated to afford the target product tert-butyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate (2.1 g, 88.6% yield).

[References]

[1] Patent: WO2013/13188, 2013, A1. Location in patent: Paragraph 00333
[2] Patent: US9416132, 2016, B2. Location in patent: Page/Page column 140; 141
[3] Journal of Organic Chemistry, 2010, vol. 75, # 8, p. 2610 - 2618
[4] Tetrahedron Letters, 2010, vol. 51, # 23, p. 3095 - 3098
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