Cas no 55878-45-0 (2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester)

2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester is a pyrimidine derivative with significant utility in organic synthesis and pharmaceutical research. Its methoxy and ester functional groups enhance reactivity, making it a versatile intermediate for constructing heterocyclic compounds. The compound’s stability under standard conditions ensures reliable handling and storage. Its structural features facilitate selective modifications, enabling applications in medicinal chemistry, particularly in the development of bioactive molecules. The ester group offers straightforward derivatization pathways, while the dimethoxypyrimidine core contributes to its role as a key building block in agrochemical and drug discovery. High purity and well-defined chemical properties support its use in precision synthesis.
2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester structure
55878-45-0 structure
Product Name:2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester
CAS No:55878-45-0
MF:C8H10N2O4
MW:198.176002025604
MDL:MFCD01568106
CID:944638
PubChem ID:330001
Update Time:2025-10-28

2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • methyl 2,6-dimethoxypyrimidine-4-carboxylate
    • 2,6-DIMETHOXYPYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
    • 2,6-dimethoxy-pyrimidine-4-carboxylic acid methyl ester
    • 4-Pyrimidinecarboxylic acid, 2,6-dimethoxy-, methyl ester
    • AC1L75Y5
    • Ambpe3001505
    • CTK1E2308
    • Methyl dimethyl orotate
    • Peakdale1_001645
    • SureCN2897680
    • SB56494
    • AS-69646
    • AMY076
    • DB-297819
    • CHEMBL5305519
    • CS-0037431
    • methyl2,6-dimethoxypyrimidine-4-carboxylate
    • SCHEMBL2897680
    • Methyl 2,6-dimethoxy-4-pyrimidinecarboxylate #
    • NSC315271
    • AKOS006278167
    • YAJNNHOWKMREOO-UHFFFAOYSA-N
    • DTXSID30317416
    • MFCD01568106
    • HMS522K17
    • Pyrimidine-4-carboxylic acid, 2,6-dimethoxy-, methyl ester
    • NSC-315271
    • 2,6-Dimethoxy-4-pyrimidinecarboxylic acid methyl ester
    • 4-Pyrimidinecarboxylic acid,6-dimethoxy-, methyl ester
    • F11653
    • 55878-45-0
    • 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester
    • MDL: MFCD01568106
    • Inchi: 1S/C8H10N2O4/c1-12-6-4-5(7(11)13-2)9-8(10-6)14-3/h4H,1-3H3
    • InChI Key: YAJNNHOWKMREOO-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(C(=O)OC)=NC(=N1)OC

Computed Properties

  • Exact Mass: 198.0641
  • Monoisotopic Mass: 198.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 200
  • 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: 1
  • Topological Polar Surface Area: 70.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 327.8±45.0 °C at 760 mmHg
  • PSA: 70.54
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester Security Information

2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester Pricemore >>

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2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester Related Literature

Additional information on 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester

Introduction to 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester (CAS No: 55878-45-0)

2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester, identified by its Chemical Abstracts Service (CAS) number 55878-45-0, is a significant compound in the realm of organic chemistry and pharmaceutical research. This heterocyclic aromatic ester possesses a pyrimidine core, which is a crucial structural motif in many biologically active molecules. The presence of methoxy and ester functional groups further enhances its utility in synthetic chemistry and drug development.

The compound’s molecular structure, characterized by a pyrimidine ring substituted at the 2- and 6-positions with methoxy groups and an ester group at the 4-position, makes it a versatile intermediate in the synthesis of more complex molecules. Pyrimidine derivatives are well-documented for their roles in various biological processes, including DNA and RNA synthesis, making this compound of particular interest to researchers in medicinal chemistry.

In recent years, there has been a surge in research focused on developing novel pyrimidine-based therapeutics. The unique electronic properties of the pyrimidine ring, combined with the electron-donating effects of the methoxy groups, make 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester an excellent candidate for further functionalization. This has led to its incorporation into various synthetic pathways aimed at creating new pharmacophores with potential applications in treating a range of diseases.

One of the most compelling aspects of this compound is its role as a building block in the synthesis of nucleoside analogs. Nucleoside analogs are synthetic molecules that mimic the structure of natural nucleosides but have modified sugar or base components. These modifications can lead to enhanced stability, improved bioavailability, or altered biological activity. The ester group in 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester provides a convenient handle for further chemical modifications, allowing researchers to tailor the molecule for specific biological targets.

Recent studies have highlighted the potential of pyrimidine derivatives as inhibitors of enzymes involved in cancer metabolism. For instance, certain pyrimidine-based compounds have shown promise in inhibiting kinases and other enzymes that are overexpressed in tumor cells. The methoxy groups in this compound may play a role in modulating the enzyme’s active site, thereby enhancing binding affinity and therapeutic efficacy. This has spurred interest in exploring derivatives of 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester as potential anticancer agents.

The pharmaceutical industry has also been keen on exploring this compound for its antimicrobial properties. Pyrimidine derivatives have long been recognized for their ability to disrupt bacterial DNA replication and transcription processes. The structural features of 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester, particularly the electron-rich pyrimidine ring and the ester functionality, make it a promising candidate for developing novel antibiotics or antifungal agents. Researchers are currently investigating its efficacy against resistant strains of bacteria and fungi.

In addition to its applications in drug development, 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester finds utility in materials science and agrochemical research. Its ability to undergo various chemical transformations makes it a valuable intermediate for synthesizing polymers with unique properties. These polymers can be used in coatings, adhesives, and other industrial applications where specific chemical characteristics are required.

The agrochemical sector has also shown interest in this compound due to its potential as a precursor for herbicides and pesticides. Pyrimidine-based compounds have been widely used in agriculture due to their effectiveness in controlling pests and weeds. By modifying the structure of 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester, researchers aim to develop new agrochemicals that are more environmentally friendly while maintaining high efficacy.

The synthesis of 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester typically involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group transformations such as methylation and esterification. Advances in catalytic methods have significantly improved the efficiency of these synthetic pathways, making it more feasible to produce large quantities of the compound for research and industrial purposes.

The safety profile of this compound is another critical consideration for researchers and manufacturers alike. While it is not classified as hazardous under standard conditions, proper handling procedures must be followed to minimize exposure risks. Standard laboratory practices such as wearing appropriate personal protective equipment (PPE) and working under controlled conditions are essential when handling any chemical substance.

In conclusion, 2,6-Dimethoxypyrimidine-4-carboxylic Acid methyl ester (CAS No: 55878-45-0) is a multifaceted compound with significant applications across multiple scientific disciplines. Its role as an intermediate in pharmaceutical synthesis underscores its importance in drug discovery efforts aimed at treating various diseases. Additionally, its utility in materials science and agrochemical research highlights its versatility beyond traditional medicinal chemistry applications.

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