Cas no 99169-93-4 (5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester)

5-Pyrimidinecarboxylic acid, 2-ethyl-4-methyl-, ethyl ester is a pyrimidine derivative with potential applications in pharmaceutical and agrochemical synthesis. Its structure features an ethyl ester group, enhancing solubility and reactivity, while the ethyl and methyl substituents on the pyrimidine ring contribute to steric and electronic modulation. This compound is useful as an intermediate in the development of bioactive molecules, particularly in the design of enzyme inhibitors or receptor modulators. Its stability under standard conditions and compatibility with common organic reactions make it a versatile building block for research and industrial applications. Proper handling and storage are recommended to maintain purity and performance.
5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester structure
99169-93-4 structure
Product Name:5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester
CAS No:99169-93-4
MF:C10H14N2O2
MW:194.230362415314
CID:802280
PubChem ID:22831804
Update Time:2025-06-11

5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester
    • ethyl 2-ethyl-4-methylpyrimidine-5-carboxylate
    • ETHYL-2-ETHYL-4-METHYL-5-PYRIMIDINE CARBOXYLATE
    • 2-Aethyl-4-methyl-pyrimidin-5-carbonsaeure-aethylester
    • 2-ethyl-4-methyl-pyrimidine-5-carboxylic acid ethyl ester
    • ethyl 2-ethyl-4-methyl-5-pyrimidine carboxylate
    • CS-0457824
    • EN300-685356
    • AKOS006284070
    • 99169-93-4
    • ethyl2-ethyl-4-methylpyrimidine-5-carboxylate
    • ETHYL-2-ETHYL-4-METHYL-5-PYRIMIDINECARBOXYLATE
    • DTXSID10628517
    • Inchi: 1S/C10H14N2O2/c1-4-9-11-6-8(7(3)12-9)10(13)14-5-2/h6H,4-5H2,1-3H3
    • InChI Key: OZQFDVQNFFHLEV-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CN=C(CC)N=C1C)=O

Computed Properties

  • Exact Mass: 194.10600
  • Monoisotopic Mass: 194.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 197
  • 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: 1.7
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Density: 1.082
  • Boiling Point: 268.8°Cat760mmHg
  • Flash Point: 116.4°C
  • Refractive Index: 1.505
  • PSA: 52.08000
  • LogP: 1.52410

5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester Pricemore >>

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5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester Related Literature

Additional information on 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester

Introduction to 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester (CAS No. 99169-93-4)

5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester (CAS No. 99169-93-4) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as 2-Ethyl-4-methylpyrimidine-5-carboxylic acid ethyl ester, is characterized by its unique structural features and potential biological activities. In this comprehensive introduction, we will delve into the chemical properties, synthesis methods, and recent applications of this compound in various scientific domains.

The molecular formula of 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester is C11H14N2O2, and its molecular weight is approximately 206.24 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. Its chemical structure consists of a pyrimidine ring with substituents at the 2 and 4 positions, along with an ethyl ester group at the 5 position. This arrangement imparts unique chemical and physical properties that make it a valuable intermediate in the synthesis of more complex molecules.

The synthesis of 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester can be achieved through various routes, depending on the desired scale and purity. One common method involves the condensation of ethyl cyanoacetate with an appropriate aldehyde or ketone, followed by cyclization to form the pyrimidine ring. Another approach involves the reaction of an amino acid derivative with a suitable carbonyl compound under specific conditions. These synthetic pathways have been optimized to yield high-purity products suitable for further chemical transformations or biological evaluations.

In recent years, 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester has been extensively studied for its potential applications in medicinal chemistry. Research has shown that compounds with similar structures exhibit a range of biological activities, including anti-inflammatory, anti-cancer, and anti-viral properties. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of this compound demonstrated significant inhibitory effects on cancer cell proliferation by targeting specific signaling pathways involved in cell growth and survival.

Beyond its potential therapeutic applications, 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester has also found use in the development of novel materials and catalysts. Its ability to form stable complexes with metal ions makes it a promising candidate for applications in catalysis and materials science. Additionally, the compound's structural flexibility allows for the design of functionalized materials with tailored properties for specific applications.

The safety profile of 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester is an important consideration for both laboratory use and industrial applications. While it is generally considered safe when handled properly, standard precautions should be taken to avoid exposure to skin or inhalation of vapors. It is advisable to consult material safety data sheets (MSDS) for detailed handling guidelines and to follow best practices for laboratory safety.

In conclusion, 5-Pyrimidinecarboxylicacid, 2-ethyl-4-methyl-, ethyl ester (CAS No. 99169-93-4) is a multifaceted compound with a wide range of potential applications in medicinal chemistry, pharmaceutical research, and materials science. Its unique chemical structure and versatile synthetic routes make it an attractive candidate for further exploration and development. As research in these fields continues to advance, it is likely that new and innovative uses for this compound will be discovered, further solidifying its importance in the scientific community.

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