methyl 4-[(2S)-pyrrolidin-2-yl]benzoate - ≥97% , CAS No.1213676-58-4

CAS: 1213676-58-4 Cat. No.: M627449 Molecular Weight: 205.25 PubChem CID: 66518526

GRADE & PURITY ≥97%

Synonyms

1213676-58-4 | METHYL 4-[(2S)-PYRROLIDIN-2-YL]BENZOATE | METHYL 4-((2S)PYRROLIDIN-2-YL)BENZOATE | AKOS015933652 | METHYL4-((2S)PYRROLIDIN-2-YL)BENZOATE | N15229

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1213676-58-4 | METHYL 4-[(2S)-PYRROLIDIN-2-YL]BENZOATE | METHYL 4-((2S)PYRROLIDIN-2-YL)BENZOATE | AKOS015933652 | METHYL4-((2S)PYRROLIDIN-2-YL)BENZOATE | N15229

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC=C(C=C1)C2CCCN2
• IUPAC Name: methyl 4-[(2S)-pyrrolidin-2-yl]benzoate
• InChIKey: LNBNESVEEVVAAW-NSHDSACASA-N
• INCHI: 1S/C12H15NO2/c1-15-12(14)10-6-4-9(5-7-10)11-3-2-8-13-11/h4-7,11,13H,2-3,8H2,1H3/t11-/m0/s1
• PubChem CID: 66518526
• Molecular Weight: 205.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Benzoic acid esters Benzoyl derivatives Aralkylamines Pyrroles Methyl esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrolidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y