Cas no 263400-68-6 (4-Chloro-6-methoxy-quinazolin-7-ol)

4-Chloro-6-methoxy-quinazolin-7-ol is a quinazoline derivative with significant utility in pharmaceutical and organic synthesis applications. Its chloro and methoxy functional groups enhance reactivity, making it a versatile intermediate for constructing complex heterocyclic compounds. The hydroxyl group at the 7-position offers additional modification potential, enabling selective derivatization for targeted molecular designs. This compound is particularly valuable in medicinal chemistry for developing kinase inhibitors and other biologically active agents. High purity and well-defined structural characteristics ensure reproducibility in research and industrial processes. Its stability under standard conditions further supports handling and storage convenience in laboratory settings.
4-Chloro-6-methoxy-quinazolin-7-ol structure
263400-68-6 structure
Product Name:4-Chloro-6-methoxy-quinazolin-7-ol
CAS No:263400-68-6
MF:C9H7ClN2O2
MW:210.617080926895
MDL:MFCD17016135
CID:844784
PubChem ID:135742251
Update Time:2025-10-15

4-Chloro-6-methoxy-quinazolin-7-ol Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-methoxy-quinazolin-7-ol
    • 4-chloro-6-methoxy-3H-quinazolin-7-one
    • 4-CHLORO-6-METHOXY-7-HYDROXYQUINAZOLINE
    • 4-chloro-6-methoxy-7-Quinazolinol
    • 4-Chloro-7-hydroxy-6-methoxyquinazoline
    • 4-chloro-6-methoxyquinazolin-7-ol
    • 7-Quinazolinol, 4-chloro-6-methoxy-
    • BXRGTEOKLSVMJU-UHFFFAOYSA-N
    • PB12842
    • 4chloro-7-hydroxy-6-methoxyquinazoline
    • FCH1352029
    • 4-chloro-7-hydroxy-6-methoxyquinazohne
    • 4-chloro-7-hydroxy-6-methoxyquinazolin
    • 4-chloro-7-hydroxy-6-methoxy-quinazoline
    • AK165486
    • CID 135742251
    • 4-Chloro-7-hydroxy-6-Meth...
    • CS-0050900
    • AKOS025146588
    • MFCD17016135
    • AS-33395
    • SCHEMBL296984
    • DB-358181
    • 263400-68-6
    • SY031647
    • DTXSID301277669
    • DB-358182
    • MDL: MFCD17016135
    • Inchi: 1S/C9H7ClN2O2/c1-14-8-2-5-6(3-7(8)13)11-4-12-9(5)10/h2-4,13H,1H3
    • InChI Key: BXRGTEOKLSVMJU-UHFFFAOYSA-N
    • SMILES: N1=C2C(C=C(OC)C(O)=C2)=C(Cl)N=C1

Computed Properties

  • Exact Mass: 210.0196052g/mol
  • Monoisotopic Mass: 210.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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
  • Topological Polar Surface Area: 55.2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.458±0.06 g/cm3(Predicted)
  • Boiling Point: 379.4±37.0 °C(Predicted)
  • pka: 7.07±0.40(Predicted)

4-Chloro-6-methoxy-quinazolin-7-ol Pricemore >>

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Additional information on 4-Chloro-6-methoxy-quinazolin-7-ol

Comprehensive Analysis of 4-Chloro-6-methoxy-quinazolin-7-ol (CAS No. 263400-68-6): Properties, Applications, and Industry Insights

4-Chloro-6-methoxy-quinazolin-7-ol (CAS No. 263400-68-6) is a specialized quinazoline derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique chloro-methoxy-quinazolinol structure, serves as a critical intermediate in the synthesis of bioactive molecules. Its molecular formula, C9H7ClN2O2, and precise chemical properties make it a valuable asset in drug discovery pipelines.

Recent trends in medicinal chemistry highlight the growing demand for heterocyclic compounds like 4-Chloro-6-methoxy-quinazolin-7-ol. Researchers are particularly interested in its potential as a kinase inhibitor scaffold, aligning with the surge in targeted cancer therapies. The compound’s methoxy and hydroxyl groups contribute to its solubility profile, a hot topic in drug formulation optimization discussions across platforms like PubMed and ResearchGate.

From an SEO perspective, users frequently search for "quinazoline synthesis applications" or "CAS 263400-68-6 supplier," reflecting commercial and academic interest. Analytical techniques such as HPLC purity testing and NMR characterization are also commonly associated queries, underscoring the need for rigorous quality control in its production. The compound’s stability under varying pH conditions is another trending subtopic in pharmaceutical forums.

In agrochemical applications, 4-Chloro-6-methoxy-quinazolin-7-ol derivatives are explored for their herbicidal activity, coinciding with the global push for sustainable crop protection solutions. Patent databases reveal innovative formulations combining this moiety with biodegradable adjuvants—a response to the EU’s stringent green chemistry regulations.

The compound’s crystal structure data (available in CSD repositories) enables computational drug design workflows, a methodology gaining traction due to AI-assisted molecular modeling advancements. This intersects with frequent searches for "quinazoline DFT calculations" and "SAR studies," indicating strong academic engagement.

Industrial-scale production challenges, such as regioselective chlorination during synthesis, are actively discussed in process chemistry circles. Manufacturers emphasize atom economy improvements—a key focus area in ACS Green Chemistry Institute guidelines—to reduce waste generation during quinazoline intermediate preparation.

Emerging studies suggest potential applications in material science, particularly as a ligand for metal-organic frameworks (MOFs). This aligns with the materials community’s interest in nitrogen-rich building blocks for gas storage applications, as reflected in recent Nature Materials publications.

Regulatory compliance remains crucial; while 4-Chloro-6-methoxy-quinazolin-7-ol itself isn’t classified as hazardous, its handling requires standard laboratory safety protocols. SDS documentation emphasizes proper PPE usage—a frequently searched term alongside this compound’s name in occupational health contexts.

Market analysts note steady growth in the quinazoline derivatives sector (CAGR ~5.8%), driven by oncology R&D investments. The compound’s cost-efficiency compared to analogous bicyclic heterocycles makes it attractive for generic drug development pipelines, especially in emerging markets.

For researchers, accessing high-purity CAS 263400-68-6 remains paramount. Leading suppliers now provide GC-MS certified batches with detailed chromatograms, addressing the reproducibility crisis in organic synthesis—a pain point frequently mentioned in Chemistry World editorials.

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