ChemicalBook--->CAS DataBase List--->276872-86-7

276872-86-7

276872-86-7 Structure

276872-86-7 Structure
IdentificationBack Directory
[Name]

3-Formyl-pyrrolidine-1-carboxylicacidbenzylester
[CAS]

276872-86-7
[Synonyms]

1-Cbz-3-formyl-pyrrolidine
benzyl 3-forMylpyrrolidine-1-carboxylate
3-FORMYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTE$
1-Benzyloxycarbonylpyrrolidine-3-carboxaldehyde, 97%
1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester
[Molecular Formula]

C13H15NO3
[MDL Number]

MFCD05861538
[MOL File]

276872-86-7.mol
[Molecular Weight]

233.26
Chemical PropertiesBack Directory
[Boiling point ]

369.6±42.0 °C(Predicted)
[density ]

1.263±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[pka]

-2.49±0.40(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Sensitive ]

Air Sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Spectrum DetailBack Directory
[Spectrum Detail]

3-Formyl-pyrrolidine-1-carboxylicacidbenzylester(276872-86-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-CBZ-3-HYDROXYMETHYLPYRROLIDINE

315718-05-9

3-Formyl-pyrrolidine-1-carboxylicacidbenzylester

276872-86-7

General procedure for the synthesis of 1-Cbz-3-pyrrolidinecarboxaldehyde from 1-Cbz-3-hydroxymethylpyrrolidine: To a solution of dichloromethane (5 mL) of oxalyl chloride (0.23 mL, 2.8 mmol) was added drop-wise dimethylsulfoxide (0.43 mL, 5.6 mmol) dissolved in dichloromethane (1 mL) at -75 °C and the reaction was stirred for 2 min. Subsequently, a solution of N-benzyloxycarbonyl-3-hydroxymethylpyrrolidine (0.56 g, 2.5 mmol) in dichloromethane (2 mL) was slowly added, and stirring was continued for 0.5 hr keeping the temperature at -75 °C. Upon completion of the reaction, triethylamine (1.8 mL, 12.8 mmol) was added and stirred at the same temperature for 5 minutes before slowly warming to room temperature. The reaction was quenched by the addition of water (10 mL) and the product was extracted with dichloromethane (100 mL). The organic phase was washed sequentially with water (100 mL) and saturated brine (100 mL) and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure and the residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane, 1:1, v/v) to afford the target product 1-Cbz-3-pyrrolidinecarboxaldehyde (0.46 g, 78% yield). The product was characterized by 1H NMR (200 MHz, CDCl3): δ 9.7 (s, 1H), 7.42-7.28 (m, 5H), 5.14 (s, 2H), 3.90-3.72 (m, 1H), 3.68-3.35 (m, 3H), 3.15-2.96 (m, 1H), 2.32-2.02 (m, 2H).

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 8, p. 2150 - 2155
[2] Patent: WO2005/26154, 2005, A1. Location in patent: Page/Page column 110
[3] Patent: WO2005/26165, 2005, A1. Location in patent: Page/Page column 137
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