Cas no 73955-55-2 (Methyl 2-methylpyrimidine-4-carboxylate)

Methyl 2-methylpyrimidine-4-carboxylate is a pyrimidine derivative with applications in pharmaceutical and agrochemical synthesis. This compound serves as a versatile intermediate, particularly in the development of active ingredients due to its reactive carboxylate and methyl-substituted pyrimidine core. Its structural features enable further functionalization, making it valuable for constructing heterocyclic frameworks. The ester group enhances solubility in organic solvents, facilitating downstream reactions such as hydrolysis, amidation, or cross-coupling. The methyl substitution at the 2-position can influence regioselectivity in subsequent modifications. This compound is typically supplied with high purity, ensuring consistent performance in synthetic workflows. Proper handling under inert conditions is recommended to preserve stability.
Methyl 2-methylpyrimidine-4-carboxylate structure
73955-55-2 structure
Product Name:Methyl 2-methylpyrimidine-4-carboxylate
CAS No:73955-55-2
MF:C7H8N2O2
MW:152.150621414185
MDL:MFCD13174780
CID:555048
PubChem ID:12946332
Update Time:2025-11-01

Methyl 2-methylpyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-methylpyrimidine-4-carboxylate
    • LogP
    • 4-Pyrimidinecarboxylicacid, 2-methyl-, methyl ester
    • FT-0767320
    • AM20100715
    • AKOS015892476
    • BS-18033
    • SCHEMBL4384494
    • 4-Pyrimidinecarboxylicacid,2-methyl-,methylester(9CI)
    • 73955-55-2
    • DTXSID00513600
    • MFCD13174780
    • methyl2-methylpyrimidine-4-carboxylate
    • SB57526
    • CS-0045730
    • A15780
    • 4-pyrimidinecarboxylic acid,2-methyl-,methyl ester
    • DB-001050
    • MDL: MFCD13174780
    • Inchi: 1S/C7H8N2O2/c1-5-8-4-3-6(9-5)7(10)11-2/h3-4H,1-2H3
    • InChI Key: HEUBBCMIYRXETJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CN=C(C)N=1)=O

Computed Properties

  • Exact Mass: 152.058577502g/mol
  • Monoisotopic Mass: 152.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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: 0.8
  • Topological Polar Surface Area: 52.1?2

Methyl 2-methylpyrimidine-4-carboxylate Pricemore >>

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Additional information on Methyl 2-methylpyrimidine-4-carboxylate

Exploring Methyl 2-methylpyrimidine-4-carboxylate (CAS No. 73955-55-2): Properties, Applications, and Innovations

Methyl 2-methylpyrimidine-4-carboxylate (CAS No. 73955-55-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This ester derivative of pyrimidine is characterized by its unique molecular structure, combining a methyl group at the 2-position and a carboxylate ester at the 4-position of the pyrimidine ring. Its versatility as a building block in synthetic chemistry makes it invaluable for developing novel drug candidates and functional materials.

In recent years, the demand for heterocyclic compounds like Methyl 2-methylpyrimidine-4-carboxylate has surged due to their role in designing kinase inhibitors and antiviral agents. Researchers are particularly interested in its potential to modulate biological pathways, a topic frequently searched in academic databases and AI-driven platforms. The compound’s CAS No. 73955-55-2 is often queried alongside terms such as "synthetic routes," "spectral data," and "scalable production methods," reflecting its industrial relevance.

From a structural perspective, the pyrimidine core of this compound is a key pharmacophore in many FDA-approved drugs. Its ester functionality allows for further derivatization, enabling chemists to explore structure-activity relationships (SAR) efficiently. This adaptability aligns with current trends in fragment-based drug discovery, a hot topic in medicinal chemistry forums and patent literature.

Environmental and sustainability concerns have also influenced research around Methyl 2-methylpyrimidine-4-carboxylate. Green chemistry approaches, such as catalytic esterification and solvent-free reactions, are being investigated to synthesize this compound with reduced ecological impact—a subject frequently discussed in ACS Sustainable Chemistry journals and LinkedIn groups focused on green synthesis.

Analytical characterization of CAS No. 73955-55-2 typically involves advanced techniques like NMR spectroscopy and HPLC-MS, which are critical for quality control in commercial batches. Startups and CROs (Contract Research Organizations) increasingly search for reliable suppliers of this compound, emphasizing the need for detailed COA (Certificate of Analysis) documentation—a frequently asked question in procurement discussions.

Looking ahead, the integration of AI-driven retrosynthesis tools is expected to revolutionize the production of Methyl 2-methylpyrimidine-4-carboxylate. Platforms like IBM RXN for Chemistry and BenchSci now feature this compound in predictive models, addressing user queries about "optimized synthetic pathways" and "cost-effective scaling." These innovations highlight its enduring importance in both academic and industrial settings.

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