Cas no 6237-95-2 (4,6-Dichloro-2-ethyl-5-nitropyrimidine)

4,6-Dichloro-2-ethyl-5-nitropyrimidine is a halogenated nitropyrimidine derivative with significant utility in organic synthesis and pharmaceutical research. Its reactive dichloro and nitro substituents make it a versatile intermediate for nucleophilic substitution reactions, enabling the construction of complex heterocyclic frameworks. The ethyl group at the 2-position enhances steric and electronic properties, facilitating selective functionalization. This compound is particularly valuable in the development of agrochemicals and active pharmaceutical ingredients (APIs), where its structural motifs contribute to bioactivity. High purity and stability under controlled conditions ensure consistent performance in synthetic applications. Its well-defined reactivity profile makes it a preferred choice for researchers seeking efficient pyrimidine-based building blocks.
4,6-Dichloro-2-ethyl-5-nitropyrimidine structure
6237-95-2 structure
Product Name:4,6-Dichloro-2-ethyl-5-nitropyrimidine
CAS No:6237-95-2
MF:C6H5Cl2N3O2
MW:222.028798818588
CID:863940
PubChem ID:230647
Update Time:2025-10-28

4,6-Dichloro-2-ethyl-5-nitropyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dichloro-2-ethyl-5-nitropyrimidine
    • Pyrimidine, 4,6-dichloro-2-ethyl-5-nitro-,
    • NSC 25739
    • SCHEMBL7181702
    • SY347958
    • SB60307
    • DB-023333
    • 4,6-dichloro-5-nitro-2-ethylpyrimidine
    • NSC-25739
    • RBGNCLAOWBJWLD-UHFFFAOYSA-N
    • MFCD11218972
    • AKOS015995560
    • 6237-95-2
    • 4,6-dichloro-2-ethyl-5-nitro-pyrimidine
    • NSC25739
    • 2-ethyl-4,6-dichloro-5-nitro-pyrimidine
    • DTXSID20282402
    • MDL: MFCD11218972
    • Inchi: 1S/C6H5Cl2N3O2/c1-2-3-9-5(7)4(11(12)13)6(8)10-3/h2H2,1H3
    • InChI Key: RBGNCLAOWBJWLD-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=NC(CC)=N1)Cl)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 220.97605
  • Monoisotopic Mass: 220.976
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: 2.8
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • Density: 1.537
  • Boiling Point: 319.3°C at 760 mmHg
  • Flash Point: 146.9°C
  • Refractive Index: 1.583
  • PSA: 68.92

4,6-Dichloro-2-ethyl-5-nitropyrimidine Pricemore >>

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Additional information on 4,6-Dichloro-2-ethyl-5-nitropyrimidine

Comprehensive Overview of 4,6-Dichloro-2-ethyl-5-nitropyrimidine (CAS No. 6237-95-2): Properties, Applications, and Industry Trends

4,6-Dichloro-2-ethyl-5-nitropyrimidine (CAS No. 6237-95-2) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitropyrimidine derivative features a unique molecular structure, combining chloro, ethyl, and nitro functional groups, which contribute to its reactivity and versatility in synthetic applications. As researchers increasingly explore pyrimidine-based scaffolds for drug discovery, compounds like 4,6-Dichloro-2-ethyl-5-nitropyrimidine have become pivotal intermediates in the development of novel bioactive molecules.

The growing demand for high-value chemical intermediates in medicinal chemistry has positioned CAS 6237-95-2 as a compound of particular interest. Recent studies highlight its utility in constructing nucleoside analogs and kinase inhibitors, addressing current pharmaceutical challenges such as antiviral therapies and targeted cancer treatments. The compound's electron-deficient pyrimidine ring enables diverse substitution patterns, making it valuable for structure-activity relationship (SAR) studies—a hot topic in modern drug design circles.

From a technical perspective, 4,6-Dichloro-2-ethyl-5-nitropyrimidine demonstrates notable stability under standard storage conditions, with recommended handling in controlled environments to maintain purity. Analytical characterization typically involves HPLC analysis and mass spectrometry, techniques frequently searched by quality control professionals. The compound's chloro-nitro substitution pattern has also sparked interest in materials science, particularly for developing photoactive compounds—an emerging field combining chemistry with renewable energy applications.

Industry trends show rising searches for "pyrimidine synthesis optimization" and "nitroheterocycle safety protocols," reflecting the compound's dual relevance in both innovation and operational safety. Environmental considerations have led to improved green chemistry approaches for producing 6237-95-2, with recent patents focusing on catalytic methods that reduce halogenated waste—a response to the pharmaceutical industry's sustainability initiatives. These developments align with global searches for "eco-friendly heterocyclic synthesis" and "green pharmaceutical intermediates."

In agrochemical applications, the 2-ethyl-5-nitropyrimidine core structure shows promise for developing new crop protection agents, particularly as resistance management becomes crucial in modern agriculture. This connects to frequent search queries about "novel mode-of-action pesticides" and "nitrogen-containing bioactive compounds." The compound's potential in creating systemic acquired resistance (SAR) inducers in plants is currently under investigation by several research groups worldwide.

Quality specifications for 4,6-Dichloro-2-ethyl-5-nitropyrimidine typically require ≥98% purity by HPLC, with strict control of process-related impurities—a critical parameter for pharmaceutical GMP compliance. Analytical method development for this compound frequently appears in literature searches, particularly regarding HPLC method validation and spectroscopic characterization techniques. The growing importance of quality by design (QbD) principles in chemical manufacturing has further elevated interest in robust analytical protocols for intermediates like CAS 6237-95-2.

Emerging research directions include exploring the compound's potential in metal-organic frameworks (MOFs) and as a ligand in coordination chemistry—topics generating substantial academic interest. These applications connect to trending searches about "functional materials design" and "molecular engineering." The nitropyrimidine moiety offers unique electronic properties that could advance developments in organic electronics and molecular sensors, areas experiencing rapid growth according to recent publication metrics.

Supply chain considerations for 6237-95-2 reflect broader industry shifts toward specialty chemical localization and diversified sourcing strategies. Procurement professionals frequently search for "reliable pyrimidine suppliers" and "custom synthesis options," indicating the compound's position in strategic sourcing discussions. Technical documentation for this material typically includes comprehensive stability data and compatibility studies, addressing formulation scientists' needs for excipient interaction information.

Future perspectives suggest expanding applications of 4,6-Dichloro-2-ethyl-5-nitropyrimidine in bioconjugation chemistry and prodrug development, aligning with pharmaceutical industry priorities for targeted therapies. The compound's multiple reactive sites offer opportunities for sequential functionalization—a technique gaining traction in combinatorial chemistry approaches. These directions correspond with increasing searches for "modular synthetic platforms" and "versatile chemical building blocks" across scientific databases.

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