Cas no 68078-09-1 (1-Methylpyrrolidine-2-carboxylic acid)

1-Methylpyrrolidine-2-carboxylic acid is a chiral pyrrolidine derivative widely used as a building block in organic synthesis and pharmaceutical applications. Its rigid pyrrolidine scaffold and carboxylic acid functionality make it a versatile intermediate for constructing bioactive molecules, particularly in the development of peptidomimetics and chiral catalysts. The methyl substitution at the nitrogen enhances steric and electronic properties, influencing reactivity and selectivity in asymmetric synthesis. This compound is valued for its high purity, stability, and compatibility with a range of coupling reactions. It serves as a key precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, offering consistent performance in complex synthetic pathways.
1-Methylpyrrolidine-2-carboxylic acid structure
68078-09-1 structure
Product Name:1-Methylpyrrolidine-2-carboxylic acid
CAS No:68078-09-1
MF:C6H11NO2
MW:129.157041788101
MDL:MFCD01605583
CID:826553
PubChem ID:557
Update Time:2025-06-12

1-Methylpyrrolidine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methylpyrrolidine-2-carboxylic acid
    • N-methyl DL-proline
    • N-methyl-(L)-Proline
    • 1-Methylproline
    • 1-methylproline(SALTDATA: HCl)
    • Proline, 1-methyl
    • 1-Methyl-DL-proline
    • FT-0774359
    • AM101133
    • methylproline
    • SY004606
    • 1-Methyl-pyrrolidine-2-carboxylic acid
    • MFCD00011565
    • CS-B1576
    • L-Proline, 1-methyl-
    • SB13703
    • EN300-60915
    • MFCD01605583
    • SB13701
    • 1-methylpyrrolidine-2-carboxylicacid
    • AKOS004910667
    • N-methyl-D,L-proline
    • N-methylproline
    • 1-Methylproline #
    • SCHEMBL145545
    • D-Proline, 1-methyl-
    • NSC45492
    • SDCCGMLS-0064715.P001
    • Z424762078
    • BS-13089
    • FT-0600408
    • FT-0740440
    • 68078-09-1
    • A867137
    • SY004607
    • DTXSID10274275
    • Q-102890
    • proline, 1-methyl-
    • N-Me-Pro-OH
    • NSC-45492
    • Q3596761
    • SB13702
    • DTXCID40225755
    • 1-methylpyrrolidine-2-carboxylate
    • XH1270
    • N-Methylpyrrolidine-2-carboxylic acid
    • METHYL-D-PROLINE
    • ALBB-016470
    • DB-072429
    • MDL: MFCD01605583
    • Inchi: 1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
    • InChI Key: CWLQUGTUXBXTLF-UHFFFAOYSA-N
    • SMILES: OC(C1CCCN1C)=O

Computed Properties

  • Exact Mass: 129.07903
  • Monoisotopic Mass: 129.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 124
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5?2
  • XLogP3: -1.9

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 230℃
  • Boiling Point: 227.1±33.0℃ at 760 mmHg
  • Flash Point: 91.1±25.4 °C
  • PSA: 40.54
  • LogP: 0.10310
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-Methylpyrrolidine-2-carboxylic acid Security Information

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1-Methylpyrrolidine-2-carboxylic acid Related Literature

Additional information on 1-Methylpyrrolidine-2-carboxylic acid

Comprehensive Overview of 1-Methylpyrrolidine-2-carboxylic acid (CAS No. 68078-09-1): Properties, Applications, and Innovations

1-Methylpyrrolidine-2-carboxylic acid (CAS No. 68078-09-1) is a versatile organic compound with a growing presence in pharmaceutical, agrochemical, and material science research. This pyrrolidine derivative is characterized by its unique structural features, including a carboxyl group and a methyl substitution on the nitrogen atom, which contribute to its reactivity and functional diversity. As interest in heterocyclic compounds surges due to their applications in drug discovery and catalysis, this compound has garnered attention for its potential in designing novel bioactive molecules.

The chemical's molecular formula (C6H11NO2) and molecular weight (129.16 g/mol) make it a lightweight yet reactive building block for synthetic chemistry. Researchers frequently explore its role as a chiral auxiliary or ligand in asymmetric synthesis, aligning with the current trend toward sustainable and stereoselective reactions. Its water solubility and thermal stability further enhance its utility in aqueous-phase reactions, a hotspot in green chemistry initiatives.

In pharmaceuticals, 1-Methylpyrrolidine-2-carboxylic acid serves as a precursor for proline analogs, which are pivotal in peptide mimetics and enzyme inhibition studies. Recent publications highlight its incorporation into covalent organic frameworks (COFs) for drug delivery systems, addressing the rising demand for targeted therapies. Additionally, its derivatives show promise in neurological research, particularly in modulating neurotransmitter pathways—a topic frequently searched in academic and medical communities.

The agrochemical sector leverages this compound to develop biodegradable pesticides, responding to global calls for eco-friendly crop protection. Its structural flexibility allows modifications that enhance pest selectivity while minimizing environmental impact, a key concern among regulators and farmers alike. Patent analyses reveal its use in herbicide adjuvants, where it improves formulation efficacy—a trending subtopic in precision agriculture forums.

From a commercial perspective, CAS No. 68078-09-1 is available in high purity grades (≥98%) to meet stringent industry standards. Suppliers often highlight its batch-to-batch consistency and scalable synthesis, critical factors for manufacturers optimizing supply chains. Analytical techniques like HPLC and NMR are routinely employed for quality control, ensuring compliance with Good Manufacturing Practices (GMP)—a frequently searched term in procurement databases.

Innovations in catalysis have further propelled interest in this compound. Its ability to coordinate with transition metals enables applications in cross-coupling reactions, a cornerstone of modern organic synthesis. Recent studies explore its role in photoredox catalysis, aligning with the surge in renewable energy-driven chemical processes. Such advancements resonate with researchers investigating solar-to-chemical conversion, a high-traffic keyword in energy science literature.

Safety profiles of 1-Methylpyrrolidine-2-carboxylic acid are well-documented, with standard handling protocols emphasizing pH-neutral storage to preserve stability. Material Safety Data Sheets (MSDS) detail its non-flammable nature and recommend ventilated workspace usage—information highly sought after in laboratory safety guidelines. Environmental studies confirm its low bioaccumulation potential, reinforcing its suitability for sustainable applications.

Future directions for this compound include explorations in bioconjugation chemistry for diagnostic probes and polymeric materials with tunable properties. As interdisciplinary research grows, its integration into biohybrid systems and smart materials is anticipated—topics generating buzz in materials science conferences and preprint servers.

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