ChemicalBook--->CAS DataBase List--->5733-86-8

5733-86-8

5733-86-8 Structure

5733-86-8 Structure
IdentificationMore
[Name]

1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
[CAS]

5733-86-8
[Synonyms]

1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLIC ACID
1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
AKOS BB-9373
AURORA 17719
BUTTPARK 17\07-15
IFLAB-BB F1799-0573
OTAVA-BB BB7018611176
TIMTEC-BB SBB011410
1-benzyl-5-oxo-3-pyrrolidinecarboxylicaci
5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylicaci
5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylicacid
1-Benzyl-5-oxopyrrolidine-3-carboxylic acid 97%
[Molecular Formula]

C12H13NO3
[MDL Number]

MFCD00085749
[Molecular Weight]

219.24
[MOL File]

5733-86-8.mol
Chemical PropertiesBack Directory
[Melting point ]

142.0 to 146.0 °C
[Boiling point ]

471.3±45.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.51±0.20(Predicted)
[color ]

White to Almost white
[CAS DataBase Reference]

5733-86-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H320
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
[Hazard Codes ]

Xi
[RTECS ]

UY0686500
[HazardClass ]

IRRITANT
[HS Code ]

2933790090
Spectrum DetailBack Directory
[Spectrum Detail]

1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID(5733-86-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE

51535-00-3

1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID

5733-86-8

Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate (2.00 g, 8.57 mmol) was used as a raw material and dissolved in a mixed solvent of methanol (10 mL) and tetrahydrofuran (10 mL). Subsequently, 2 N aqueous lithium hydroxide (8.6 mL) was added to this solution. The reaction mixture was heated to reflux for 20 minutes. Upon completion of the reaction, the reaction solution was cooled in an ice bath, adjusted to acidity with aqueous potassium bisulfate, and then extracted with ethyl acetate. The organic layers were combined, concentrated and purified by repurification (ethyl acetate/hexane) and dried to give 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid (1.83 g, 97% yield).1H-NMR (DMSO-d6) δ: 2.56 (2H, m), 3.80 (1H, m), 3.15 (2H, m), 3.25 (2H, m), 4.36 (2H , q, J = 8.6 Hz), 7.27 (5H, m), 12.61 (1H, s).

[References]

[1] Patent: EP1403255, 2004, A1. Location in patent: Page 78
[2] Journal of Medicinal Chemistry, 1997, vol. 40, # 15, p. 2374 - 2385
[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 1, p. 377 - 379
[4] European Journal of Organic Chemistry, 2005, # 4, p. 673 - 682
[5] Patent: WO2006/123725, 2006, A1. Location in patent: Page/Page column 64-65
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