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876317-19-0

876317-19-0 Structure

876317-19-0 Structure
IdentificationBack Directory
[Name]

1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID
[CAS]

876317-19-0
[Synonyms]

N-Boc-4-oxo-DL-Proline
BOC- 4-OXOPYRROLIDINE-2-CARBOXYLIC ACID
1-Boc-4-oxo-2-pyrrolidinecarboxylic acid
4-OXOPYRROLIDINE-2-CARBOXYLIC ACID, N-BOC PROTECTED
4-Oxopyrrolidine-2-carboxylic acid, N-BOC protected 97%
1-tert-(Butoxycarbonyl)pyrrolidin-4-one-2-carboxylic acid
4-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID
1-tert-(Butoxycarbonyl)pyrrolidin-4-one-2-carboxylic acid 95%
(2S)-1-TERT-BUTYL HYDROGEN 4-OXOPYRROLIDINE-1,2-DICARBOXYLATE
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
[Molecular Formula]

C10H15NO5
[MDL Number]

MFCD02668169
[MOL File]

876317-19-0.mol
[Molecular Weight]

229.23
Chemical PropertiesBack Directory
[Melting point ]

155 °C
[Boiling point ]

390.8±42.0 °C(Predicted)
[density ]

1.304±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

solid
[pka]

3.85±0.20(Predicted)
[color ]

Brown
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

1-[(tert-Butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic Acid may be useful in the preparation of pyridinylethynyldihydropyrroloquinazolinone derivatives and analogs for use as metabotropic glutamate receptor 5 modulators.
[Synthesis]

1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

40350-82-1

1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID

876317-19-0

General procedure for the synthesis of 1-tert-butyl-4-oxopyrrolidine-2-carboxylic acid from 1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid: 1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (178 g, 0.77 mol) was dissolved in dichloromethane (2.0 L), trichloroisocyanuric acid (178.89 g, 0.77 mol), followed by 2,2,6,6-tetramethylpiperidine oxide (6.05 g, 0.0385 mol). The reaction mixture was stirred at room temperature for 1 hour. After completion of the reaction, the reaction was quenched with water and the insoluble material was removed by filtration. The aqueous phase was extracted several times with dichloromethane, all organic phases were combined and dried with anhydrous sodium sulfate. Finally, the organic phase was concentrated to dryness under vacuum to give 1-tert-butyl-4-oxopyrrolidine-2-carboxylic acid (180 g) in 100% yield.

[References]

[1] Patent: CN105503891, 2016, A. Location in patent: Paragraph 0008; 0016
Spectrum DetailBack Directory
[Spectrum Detail]

1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID(876317-19-0)1HNMR
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