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(S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is a synthetic chemical compound that belongs to the class of organic compounds known as N-benzylpiperidines. It is predominantly observed as an ester and has a role as a metabolite. (S)-1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER features a piperidine ring, which is a saturated heterocyclic six-member ring with one nitrogen atom and five carbon atoms. As its name suggests, it has a benzyl group (-Bn) attached, which is an aromatic group based on a benzene ring. Additionally, it contains an ester functional group (labeled as the 'methyl ester'), which is a carbonyl center (C=O) attached to an alkyl or aryl, and an oxygen atom attached to another carbon.

428518-44-9

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428518-44-9 Usage

Uses

Used in Pharmaceutical Industry:
(S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure, including the piperidine ring and benzyl group, allows it to be a key component in the development of new drugs, particularly those targeting the central nervous system.
Used in Research Applications:
In the field of organic chemistry, (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester serves as a valuable research tool. It is used in the study of the synthesis and properties of N-benzylpiperidine derivatives, as well as in the investigation of the reactivity and stability of ester functional groups.
Used in Chemical Synthesis:
(S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is used as a starting material or building block in the synthesis of more complex organic molecules. Its versatile structure makes it a useful component in the creation of a wide range of chemical products, including specialty chemicals and advanced materials.

Check Digit Verification of cas no

The CAS Registry Mumber 428518-44-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,2,8,5,1 and 8 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 428518-44:
(8*4)+(7*2)+(6*8)+(5*5)+(4*1)+(3*8)+(2*4)+(1*4)=159
159 % 10 = 9
So 428518-44-9 is a valid CAS Registry Number.

428518-44-9Relevant academic research and scientific papers

Asymmetric Reduction of Lactam-Based β-Aminoacrylates. Synthesis of Heterocyclic β2-Amino Acids

Campello, Hugo Rego,Parker, Jeremy,Perry, Matthew,Ryberg, Per,Gallagher, Timothy

, p. 4124 - 4127 (2016/08/30)

The ability to affect asymmetric reduction of heterocyclic β-aminoacrylates 1 (n = 1-3) has been assessed with pyrrolidine and piperidone variants generating the corresponding N-heterocyclic β2-amino acids 3b and 5b with high enantioselectivity

A chemoenzymatic approach to the synthesis of enantiomerically pure aza analogues of paraconic acid methyl ester and both enantiomers of methyl β-proline

Felluga, Fulvia,Pitacco, Giuliana,Prodan, Massimo,Pricl, Sabrina,Visintin, Marco,Valentin, Ennio

, p. 3241 - 3249 (2007/10/03)

Enantiopure methyl esters of 1-alkyl-5-oxo-3-pyrrolidinecarboxylic acids were obtained by enzymatic resolution of the corresponding chiral racemic mixtures. A particularly favourable interaction, also supported by molecular mechanics calculations, was observed between the 1-benzyl derivative and α-chymotrypsin, for which the enantiomeric ratio, E, exceeded 200. The absolute configurations of the lactams were determined by means of CD spectroscopy. From the resulting enantiomerically pure (99% e.e.) (S)-(+)-1-benzyl-3-pyrrolidinecarboxylic acid and methyl (R)-(-)-1-benzyl-3-pyrrolidinecarboxylate, the methyl esters of (+) and (-)-β-proline were synthesised in 99% e.e. and 18 and 22% overall yield, respectively.

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