ChemicalBook--->CAS DataBase List--->51535-00-3

51535-00-3

51535-00-3 Structure

51535-00-3 Structure
IdentificationBack Directory
[Name]

METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE
[CAS]

51535-00-3
[Synonyms]

NSC 176916
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE
Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate 97%
Methyl 1-benzyl-5-oxo-3-pyrrolidine-carboxylate,98%
Methyl 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylate
1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester
1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER
5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, methyl ester
[EINECS(EC#)]

257-257-9
[Molecular Formula]

C13H15NO3
[MDL Number]

MFCD00003196
[MOL File]

51535-00-3.mol
[Molecular Weight]

233.26
Questions And AnswerBack Directory
[Synthesis]

The target compound, methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate, was prepared by a one-step cyclization reaction using dimethyl itaconic acid and benzylamine as starting materials. The synthetic reaction formula is shown in the figure below:

Synthesis of 51535-00-3

Chemical PropertiesBack Directory
[Appearance]

white to slightly yellowish powder
[Melting point ]

63-66 °C(lit.)
[Boiling point ]

375.51°C (rough estimate)
[density ]

1.1475 (rough estimate)
[refractive index ]

1.5310 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

-1.82±0.40(Predicted)
[color ]

White to slightly yellow
[InChI]

InChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
[InChIKey]

WTRWSSDZHQOPJI-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=CC=C2)C(=O)CC(C(OC)=O)C1
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellowish powder
[Uses]

Enantiomeric separation of methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate has been achieved using methylchlorophenyl carbamate of cellulose and of amylose as polysaccharide chiral stationary phases by HPLC.
[General Description]

Enantiomeric separation of methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate has been achieved using methylchlorophenyl carbamate of cellulose and of amylose as polysaccharide chiral stationary phases by HPLC.
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

24/25-60-37-26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29337900
[Storage Class]

13 - Non Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)MS
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)1HNMR
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)13CNMR
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)IR1
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)IR2
METHYL 1-BENZYL-5-OXO-3-PYRROLIDINECARBOXYLATE(51535-00-3)Raman
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