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122684-34-8

122684-34-8 Structure

122684-34-8 Structure
IdentificationMore
[Name]

3-Aminocarbonyl-1-Boc-pyrrolidine
[CAS]

122684-34-8
[Synonyms]

3-AMINOCARBONYL-1-BOC-PYRROLIDINE
3-CARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL 3-(AMINOCARBONYL)PYRROLIDINE-1-CARBOXYLATE
TERT-BUTYL 3-CARBAMOYLPYRROLIDINE-1-CARBOXYLATE
(S)-1-BOC-PYRROLIDINE-3-CARBOXAMIDE
1-BOC-PYRROLIDINE-3-CARBOXAMIDE
1-BOC-PYRROLIDINE-3-CARBOXYAMIDE
[Molecular Formula]

C10H18N2O3
[MDL Number]

MFCD04116210
[Molecular Weight]

214.26
[MOL File]

122684-34-8.mol
Chemical PropertiesBack Directory
[Melting point ]

117.0 to 121.0 °C
[Boiling point ]

370.1±31.0 °C(Predicted)
[density ]

1.155±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

16.40±0.20(Predicted)
[color ]

White to Almost white
[CAS DataBase Reference]

122684-34-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

tert-Butyl 3-Carbamoylpyrrolidine-1-carboxylate is used for preparation and sulfuration of 1,2,4-thiadiazoles.
[Synthesis]

(R)-1-N-Boc-beta-proline

72925-16-7

3-Aminocarbonyl-1-Boc-pyrrolidine

122684-34-8

The general procedure for the synthesis of 1-BOC-pyrrolidine-3-carboxamide from (R)-1-Boc-3-carboxypyrrolidine was as follows: to a solution of 1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid (5 g, 23.23 mmol) in anhydrous THF (100 mL) was added triethylamine (TEA, 4.69 g, 46.46 mmol) and isobutyl chloroformic acid ester (3.8 g, 27.87 mmol). The reaction mixture was stirred at 0 °C for 20 min. Subsequently, ammonia (NH3-H2O) was slowly added and stirring was continued for 2 h at room temperature. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (30 mL) and washed sequentially with saturated sodium carbonate solution (2 × 20 mL) and saturated sodium bicarbonate solution. The organic layer was then washed with citric acid solution (2 × 20 mL) to remove residual base. Finally, the organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the crude product (2.39 g, 49% yield) as a yellow solid. Mass spectrometry (ESI) analysis showed: m/z = 159.0 [M + H]+.

[References]

[1] Patent: WO2015/48662, 2015, A2. Location in patent: Page/Page column 91
[2] Journal of Medicinal Chemistry, 1990, vol. 33, # 7, p. 2052 - 2059
[3] Chemical Biology and Drug Design, 2016, p. 54 - 65
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminocarbonyl-1-Boc-pyrrolidine(122684-34-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Boc-pyrrolidine-3-carboxamide(122684-34-8)
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