Cas no 623565-57-1 (Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate)

Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is a heterocyclic compound featuring a fused pyrazole-oxazine scaffold, which serves as a versatile intermediate in medicinal chemistry and organic synthesis. Its rigid bicyclic structure enhances molecular stability and offers distinct spatial orientation for further functionalization. The ethyl ester group provides a reactive handle for derivatization, enabling the synthesis of amides, acids, or other derivatives. This compound is particularly valuable in the development of bioactive molecules, including potential pharmaceuticals targeting neurological or inflammatory pathways. Its unique core structure contributes to improved pharmacokinetic properties, such as enhanced metabolic stability and membrane permeability, making it a promising building block for drug discovery programs.
Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate structure
623565-57-1 structure
Product Name:Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate
CAS No:623565-57-1
MF:C9H12N2O3
MW:196.203182220459
MDL:MFCD10566751
CID:499777
PubChem ID:11845785
Update Time:2025-11-01

Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
    • 4H-PYRAZOLO[5,1-C][1,4]OXAZINE-2-CARBOXYLIC ACID, 6,7-DIHYDRO-, ETHYL ESTER
    • AGN-PC-00HCSM
    • ANW-57881
    • CTK5B4945
    • ethyl 4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxylate
    • SureCN3551607
    • 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid ethyl ester
    • CS-0136985
    • F98424
    • YZA56557
    • AKOS006305034
    • DTXSID00474348
    • 4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylicacid, 6,7-dihydro-, ethyl ester
    • OXKHHZJNEHYAPB-UHFFFAOYSA-N
    • 623565-57-1
    • EN300-244277
    • ethyl6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
    • SCHEMBL3551607
    • Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate
    • MDL: MFCD10566751
    • Inchi: 1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
    • InChI Key: OXKHHZJNEHYAPB-UHFFFAOYSA-N
    • SMILES: O1CCN2C(=CC(C(=O)OCC)=N2)C1

Computed Properties

  • Exact Mass: 196.08500
  • Monoisotopic Mass: 196.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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: 0.2
  • Topological Polar Surface Area: 53.4?2

Experimental Properties

  • PSA: 53.35000
  • LogP: 0.59000

Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate Security Information

  • HazardClass:IRRITANT

Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Ethyl 6,7-dihydro-4H-pyrazolo5,1-c1,4oxazine-2-carboxylate

Comprehensive Overview of Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (CAS No. 623565-57-1)

Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (CAS No. 623565-57-1) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural framework. This pyrazolo-oxazine derivative is characterized by a fused bicyclic system, combining pyrazole and oxazine rings, which imparts remarkable chemical versatility. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in the development of central nervous system (CNS) therapeutics and anti-inflammatory agents.

The compound's ethyl carboxylate moiety enhances its solubility and reactivity, making it a valuable intermediate in organic synthesis. Recent studies highlight its role in catalyzed cross-coupling reactions, a hot topic in green chemistry and sustainable synthesis. As the demand for eco-friendly chemical processes grows, Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is being investigated for its compatibility with biocatalysts and microwave-assisted synthesis techniques, which align with the industry's shift toward energy-efficient methodologies.

In the context of pharmaceutical applications, this compound has shown promise in modulating GABA receptors, a key target for anxiolytic and anticonvulsant drugs. Its structural similarity to other bioactive heterocycles has spurred interest in its potential to address neurodegenerative disorders, a pressing concern in aging populations. Additionally, its low toxicity profile and high bioavailability make it a candidate for preclinical studies, particularly in neuropharmacology.

From a commercial perspective, CAS No. 623565-57-1 is gaining traction in the fine chemicals market, driven by its applicability in high-value specialty chemicals. Suppliers and manufacturers are optimizing large-scale production protocols to meet the rising demand from contract research organizations (CROs) and academic laboratories. Quality control measures, such as HPLC purity testing and spectroscopic characterization, are critical to ensuring its consistency for research-grade applications.

The compound's relevance extends to material science, where its aromatic heterocycles contribute to the design of organic electronic materials. With the surge in interest for flexible electronics and optoelectronic devices, researchers are evaluating its derivatives for charge transport properties. This interdisciplinary potential positions Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate as a molecule of interest beyond traditional medicinal chemistry.

In summary, Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (CAS No. 623565-57-1) exemplifies the convergence of chemical innovation and multidisciplinary research. Its adaptability across pharmaceuticals, agrochemicals, and advanced materials underscores its value in addressing contemporary scientific challenges. As computational chemistry and AI-driven drug design advance, this compound is poised to play a pivotal role in the next generation of small-molecule therapeutics and functional materials.

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