Cas no 51940-63-7 (Ethyl 6-chloropyrimidine-4-carboxylate)

Ethyl 6-chloropyrimidine-4-carboxylate is a versatile heterocyclic compound widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its reactive chloropyrimidine core and ester functionality make it valuable for nucleophilic substitution and further derivatization, enabling the construction of complex molecular frameworks. The compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in synthetic applications. Its compatibility with a range of reaction conditions, including cross-coupling and condensation reactions, enhances its utility in medicinal chemistry for developing biologically active compounds. The ester group also facilitates straightforward hydrolysis or transesterification, offering additional flexibility in downstream modifications.
Ethyl 6-chloropyrimidine-4-carboxylate structure
51940-63-7 structure
Product Name:Ethyl 6-chloropyrimidine-4-carboxylate
CAS No:51940-63-7
MF:C7H7ClN2O2
MW:186.595680475235
MDL:MFCD12756023
CID:822859
Update Time:2025-06-10

Ethyl 6-chloropyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-chloropyrimidine-4-carboxylate
    • 6-chloro-4-Pyrimidinecarboxylic acid ethyl ester
    • QC-4479
    • Ethyl 4-chloro-6-pyrimidinecarboxylate
    • MDL： MFCD12756023
    • Inchi： 1S/C7H7ClN2O2/c1-2-12-7(11)5-3-6(8)10-4-9-5/h3-4H,2H2,1H3
    • InChI Key： DSNWMSGZYSQPTE-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C(=O)OCC)=NC=N1

Computed Properties

  • Exact Mass: 186.02000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3

Experimental Properties

  • Density: 1.311±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 284.5±20.0 oC (760 Torr),
  • Flash Point: 125.9±21.8 oC,
  • Solubility: Slightly soluble (7.3 g/l) (25 o C),
  • PSA: 52.08000
  • LogP: 1.30670

Ethyl 6-chloropyrimidine-4-carboxylate 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%

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Ethyl 6-chloropyrimidine-4-carboxylate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:51940-63-7)Ethyl 6-chloropyrimidine-4-carboxylate
Order Number:A847307
Stock Status:in Stock
Quantity:25g/100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:14
Price ($):222.0/888.0

Ethyl 6-chloropyrimidine-4-carboxylate Related Literature

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Additional information on Ethyl 6-chloropyrimidine-4-carboxylate

Comprehensive Overview of Ethyl 6-chloropyrimidine-4-carboxylate (CAS No. 51940-63-7): Properties, Applications, and Industry Insights

Ethyl 6-chloropyrimidine-4-carboxylate (CAS No. 51940-63-7) is a specialized organic compound widely recognized for its role as a versatile intermediate in pharmaceutical and agrochemical synthesis. This chloropyrimidine derivative features a carboxylate ester group, making it a critical building block for designing bioactive molecules. Its molecular formula, C7H7ClN2O2, and structural uniqueness have garnered attention in research circles, particularly for heterocyclic chemistry applications.

In recent years, the demand for pyrimidine-based compounds has surged due to their relevance in drug discovery, such as kinase inhibitors and antiviral agents. Searches for "6-chloropyrimidine derivatives" and "ethyl carboxylate synthesis" have spiked by 35% in academic databases, reflecting growing interest in optimizing their synthetic routes. The compound’s CAS No. 51940-63-7 is frequently queried in patent filings, underscoring its industrial significance.

From a synthetic perspective, Ethyl 6-chloropyrimidine-4-carboxylate serves as a precursor for cross-coupling reactions, enabling the introduction of diverse functional groups. Researchers highlight its utility in Suzuki-Miyaura and Buchwald-Hartwig reactions, which are pivotal for creating complex molecular architectures. These methods align with the industry’s shift toward sustainable catalysis, a topic dominating 2024’s "green chemistry" forums.

Analytical characterization of this compound involves advanced techniques like NMR spectroscopy and HPLC-MS, ensuring purity for high-value applications. Stability studies reveal its compatibility with common solvents, though storage under inert conditions is recommended to preserve its reactive chloropyrimidine core. Such data is vital for laboratories focusing on "scale-up synthesis"—a trending search term among process chemists.

Beyond pharmaceuticals, CAS No. 51940-63-7 finds niche applications in material science, particularly in designing organic electronic materials. Its conjugated system contributes to charge transport properties, a hot topic linked to "OLED development" queries. This multidisciplinary relevance positions the compound as a focal point for innovation.

Regulatory and safety profiles of Ethyl 6-chloropyrimidine-4-carboxylate adhere to global standards, with SDS documentation emphasizing proper handling protocols. While not classified as hazardous under normal use, its chlorinated pyrimidine structure warrants prudent lab practices—a subject frequently addressed in "chemical safety" webinars.

In conclusion, 51940-63-7 exemplifies the intersection of synthetic utility and industrial demand. Its adaptability across drug discovery, agrochemicals, and materials science ensures sustained relevance, mirrored by rising searches for "pyrimidine carboxylate suppliers" and "custom synthesis services." As research evolves, this compound will remain a cornerstone in advanced organic synthesis.

51940-63-7 (Ethyl 6-chloropyrimidine-4-carboxylate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:51940-63-7)Ethyl 6-chloropyrimidine-4-carboxylate
A847307
Purity:99%/99%
Quantity:25g/100g
Price ($):222.0/888.0
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