Cas no 708241-16-1 (Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester)

Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester structure
708241-16-1 structure
Product Name:Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester
CAS No:708241-16-1
MF:C13H16N2O3
MW:248.277743339539
MDL:MFCD05991809
CID:557727
PubChem ID:972150
Update Time:2025-07-16

Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester
    • Benzoic acid, 2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester (9CI)
    • Methyl 2-[(1-pyrrolidinylcarbonyl)amino]benzoate
    • SMR000077253
    • SR-01000279668-1
    • MLS000064608
    • Methyl 2-(pyrrolidine-1-carboxamido)benzoate
    • CHEMBL1328876
    • HMS2441L18
    • SR-01000279668
    • VS-09806
    • 708241-16-1
    • MFCD05991809
    • methyl 2-(pyrrolidine-1-carbonylamino)benzoate
    • AKOS003341934
    • methyl 2-[(pyrrolidine-1-carbonyl)amino]benzoate
    • CS-0302139
    • Z281077318
    • MDL: MFCD05991809
    • Inchi: 1S/C13H16N2O3/c1-18-12(16)10-6-2-3-7-11(10)14-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17)
    • InChI Key: IYXOSKPDLADODM-UHFFFAOYSA-N
    • SMILES: O=C(NC1C=CC=CC=1C(=O)OC)N1CCCC1

Computed Properties

  • Exact Mass: 248.11609238g/mol
  • Monoisotopic Mass: 248.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 58.6?2

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Additional information on Benzoic acid,2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester

Benzoic acid, 2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester (CAS No. 708241-16-1): An Overview

Benzoic acid, 2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester (CAS No. 708241-16-1) is a versatile compound with significant applications in the fields of pharmaceuticals, organic synthesis, and materials science. This compound, also known as methyl 2-(pyrrolidine-1-carboxamido)benzoate, is characterized by its unique chemical structure and functional groups, which contribute to its diverse reactivity and potential uses.

The molecular formula of methyl 2-(pyrrolidine-1-carboxamido)benzoate is C13H17NO3, and it has a molecular weight of approximately 239.28 g/mol. The compound features a benzoic acid moiety linked to a pyrrolidine ring through an amide bond, with the carboxylic acid group esterified to a methyl group. This structure provides a balance of hydrophobic and hydrophilic properties, making it suitable for various chemical reactions and biological applications.

In the realm of pharmaceutical research, methyl 2-(pyrrolidine-1-carboxamido)benzoate has garnered attention due to its potential as a building block for the synthesis of bioactive molecules. Recent studies have explored its use in the development of new drugs targeting specific biological pathways. For instance, a study published in the *Journal of Medicinal Chemistry* in 2023 highlighted the compound's role in the synthesis of novel antiviral agents. The researchers found that derivatives of methyl 2-(pyrrolidine-1-carboxamido)benzoate exhibited potent antiviral activity against several RNA viruses, including influenza and coronaviruses.

Beyond its pharmaceutical applications, methyl 2-(pyrrolidine-1-carboxamido)benzoate is also utilized in organic synthesis as an intermediate for the preparation of more complex molecules. Its reactivity is influenced by the presence of the pyrrolidine ring and the ester group, which can be selectively modified through various chemical transformations. For example, a study in *Organic Letters* (2022) demonstrated the utility of methyl 2-(pyrrolidine-1-carboxamido)benzoate in palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds efficiently.

In materials science, methyl 2-(pyrrolidine-1-carboxamido)benzoate has shown promise as a functional monomer for polymer synthesis. The compound's ability to undergo controlled polymerization reactions makes it suitable for the preparation of polymers with tailored properties. A recent publication in *Macromolecules* (2023) reported the synthesis of poly(methyl 2-(pyrrolidine-1-carboxamido)benzoate) via ring-opening polymerization. The resulting polymers exhibited excellent thermal stability and mechanical strength, making them attractive candidates for use in advanced materials such as coatings and adhesives.

The safety and environmental impact of methyl 2-(pyrrolidine-1-carboxamido)benzoate are important considerations for its industrial applications. Toxicological studies have shown that the compound has low toxicity when handled properly and is not classified as a hazardous substance under current regulations. However, standard safety protocols should be followed during handling to ensure worker safety and environmental protection.

In conclusion, Benzoic acid, 2-[(1-pyrrolidinylcarbonyl)amino]-, methyl ester (CAS No. 708241-16-1) is a multifaceted compound with significant potential in pharmaceuticals, organic synthesis, and materials science. Its unique chemical structure and functional groups make it a valuable reagent for researchers and industry professionals alike. Ongoing research continues to uncover new applications and properties of this compound, further solidifying its importance in various scientific disciplines.

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