Cas no 40929-50-8 (Ethyl 5-pyrimidinecarboxylate)

Ethyl 5-pyrimidinecarboxylate is a versatile pyrimidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its ester functional group enhances reactivity, making it valuable for nucleophilic substitution and coupling reactions. The compound exhibits good solubility in common organic solvents, facilitating its use in diverse synthetic applications. Its pyrimidine core is integral to the development of biologically active molecules, including antiviral and anticancer agents. Ethyl 5-pyrimidinecarboxylate is characterized by high purity and stability, ensuring reliable performance in complex chemical transformations. Its structural flexibility allows for further functionalization, making it a preferred choice for medicinal chemistry and material science applications.
Ethyl 5-pyrimidinecarboxylate structure
Ethyl 5-pyrimidinecarboxylate structure
Product Name:Ethyl 5-pyrimidinecarboxylate
CAS No:40929-50-8
MF:C7H8N2O2
MW:152.150621414185
MDL:MFCD03094043
CID:55322
PubChem ID:24874719
Update Time:2025-06-11

Ethyl 5-pyrimidinecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl pyrimidine-5-carboxylate
    • Ethyl 5-Pyrimidinecarboxylate
    • Ethyl pyrimidine-5-carboxylate;Ethyl 5-Pyrimidinecarboxylate
    • DTXSID90400994
    • SB57551
    • Ethyl 5-pyrimidinecarboxylate, 98%
    • EN300-7261514
    • 5-ethoxycarbonylpyrimidine
    • FS-4112
    • pyrimidine-5-carboxylic acid ethyl ester
    • FT-0649923
    • AMY9321
    • A18751
    • InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H
    • SCHEMBL489451
    • SY004401
    • 5-Pyrimidinecarboxylic acid, ethyl ester
    • 40929-50-8
    • CS-0188316
    • MFCD03094043
    • AKOS015891929
    • YCWDQAKDVQNVAR-UHFFFAOYSA-N
    • Ethyl 5-pyrimidinecarboxylate
    • MDL: MFCD03094043
    • Inchi: 1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
    • InChI Key: YCWDQAKDVQNVAR-UHFFFAOYSA-N
    • SMILES: O(C(C1=CN=CN=C1)=O)CC

Computed Properties

  • Exact Mass: 152.05900
  • Monoisotopic Mass: 152.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 132
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 52.1A^2

Experimental Properties

  • Density: 1.16?g/mL?at 25?°C(lit.)
  • Boiling Point: 103?°C/12?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.495(lit.)
  • PSA: 52.08000
  • LogP: 0.65330

Ethyl 5-pyrimidinecarboxylate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

Ethyl 5-pyrimidinecarboxylate 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%

Ethyl 5-pyrimidinecarboxylate Pricemore >>

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Ethyl 5-pyrimidinecarboxylate Production Method

Ethyl 5-pyrimidinecarboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:40929-50-8)Ethyl 5-pyrimidinecarboxylate
Order Number:A18751
Stock Status:in Stock
Quantity:25g/100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):184.0/521.0

Additional information on Ethyl 5-pyrimidinecarboxylate

Ethyl 5-pyrimidinecarboxylate (CAS No. 40929-50-8): A Key Intermediate in Modern Pharmaceutical Research

Ethyl 5-pyrimidinecarboxylate, identified by its Chemical Abstracts Service (CAS) number 40929-50-8, is a significant compound in the realm of pharmaceutical chemistry. This organic ester, derived from pyrimidine, has garnered considerable attention due to its versatile applications in drug development and synthetic chemistry. The compound's structure, featuring a pyrimidine core linked to an ethyl carboxylate group, makes it a valuable intermediate for constructing more complex molecules.

The utility of Ethyl 5-pyrimidinecarboxylate stems from its reactivity and the broad spectrum of biological activities associated with pyrimidine derivatives. Pyrimidines are fundamental heterocyclic aromatic compounds that play crucial roles in nucleic acids and various metabolic pathways. Consequently, derivatives of pyrimidine have been extensively explored for their pharmacological potential.

In recent years, the demand for novel therapeutic agents has driven research into innovative synthetic routes and functionalized pyrimidine derivatives. Ethyl 5-pyrimidinecarboxylate serves as a cornerstone in this endeavor, facilitating the synthesis of biologically active compounds targeting diverse diseases. Its role in constructing pharmacophores has been particularly highlighted in the development of antiviral, anticancer, and anti-inflammatory agents.

One of the most compelling aspects of Ethyl 5-pyrimidinecarboxylate is its adaptability in chemical modifications. The ethyl carboxylate group can be readily transformed into other functional moieties, such as amides, esters, or carboxylic acids, enabling the creation of structurally diverse analogs. This flexibility is crucial for optimizing drug candidates through structure-activity relationship (SAR) studies.

The synthesis of Ethyl 5-pyrimidinecarboxylate typically involves multi-step organic reactions, often starting from commercially available precursors like malonic acid or diethyl oxalate. Advanced synthetic methodologies, including catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to enhance yield and purity. These advancements reflect the ongoing evolution of synthetic organic chemistry and its impact on pharmaceutical manufacturing.

Recent studies have demonstrated the compound's significance in medicinal chemistry. For instance, researchers have utilized Ethyl 5-pyrimidinecarboxylate to develop novel inhibitors targeting enzymes involved in viral replication. The pyrimidine scaffold mimics natural nucleobases, allowing for precise interactions with biological targets. Such findings underscore the compound's potential as a building block for next-generation therapeutics.

The role of Ethyl 5-pyrimidinecarboxylate extends beyond academic research; it has found applications in industrial settings where high-throughput screening and combinatorial chemistry are employed. The compound's well-documented properties make it an attractive candidate for library synthesis programs aimed at discovering new drug candidates.

From a regulatory perspective, Ethyl 5-pyrimidinecarboxylate benefits from established safety profiles and handling protocols, ensuring its integration into pharmaceutical workflows is seamless. Its stability under various storage conditions further enhances its practicality as an intermediate in large-scale production.

The future prospects of Ethyl 5-pyrimidinecarboxylate are promising, with ongoing research exploring its applications in areas such as gene therapy and personalized medicine. The ability to modify its structure opens doors to tailored therapeutic solutions that address specific patient needs.

In conclusion, Ethyl 5-pyrimidinecarboxylate (CAS No. 40929-50-8) is a pivotal compound in modern pharmaceutical research. Its versatility as a synthetic intermediate and its potential to contribute to the development of novel drugs position it as a cornerstone of medicinal chemistry innovation. As research continues to uncover new applications and synthetic strategies, the importance of this compound is set to grow further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:40929-50-8)Ethyl 5-pyrimidinecarboxylate
A18751
Purity:99%/99%
Quantity:25g/100g
Price ($):184.0/521.0
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