Cas no 885278-48-8 (Methyl 5,6-dichloro-1H-indazole-3-carboxylate)

Methyl 5,6-dichloro-1H-indazole-3-carboxylate is a heterocyclic organic compound featuring a dichlorinated indazole core esterified at the 3-position. This intermediate is valued for its utility in pharmaceutical and agrochemical synthesis, particularly in the development of biologically active molecules. The presence of chlorine substituents at the 5- and 6-positions enhances its reactivity, facilitating further functionalization. The methyl ester group offers versatility in hydrolysis or transesterification reactions, making it a flexible building block for medicinal chemistry applications. Its stable crystalline form ensures consistent handling and storage. The compound is typically characterized by HPLC, NMR, and mass spectrometry to confirm purity and structural integrity.
Methyl 5,6-dichloro-1H-indazole-3-carboxylate structure
885278-48-8 structure
Product Name:Methyl 5,6-dichloro-1H-indazole-3-carboxylate
CAS No:885278-48-8
MF:C9H6Cl2N2O2
MW:245.062139987946
MDL:MFCD07371585
CID:711567
PubChem ID:53408632
Update Time:2025-11-02

Methyl 5,6-dichloro-1H-indazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5,6-dichloro-1H-indazole-3-carboxylate
    • 1H-Indazole-3-carboxylicacid, 5,6-dichloro-, methyl ester
    • MFCD07371585
    • Methyl5,6-dichloro-1H-indazole-3-carboxylate
    • FT-0702844
    • DTXSID20696363
    • SY346911
    • Methyl 5,6-dichloro-2H-indazole-3-carboxylate
    • SB39519
    • 5,6-Dichloro-1H-indazole-3-carboxylic acid methyl ester
    • 885278-48-8
    • DB-077756
    • MDL: MFCD07371585
    • Inchi: 1S/C9H6Cl2N2O2/c1-15-9(14)8-4-2-5(10)6(11)3-7(4)12-13-8/h2-3H,1H3,(H,12,13)
    • InChI Key: UGGKDWFFFAWYKS-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC2=C(C=1)C(C(=O)OC)=NN2)Cl

Computed Properties

  • Exact Mass: 243.98100
  • Monoisotopic Mass: 243.9806328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 4
  • XLogP3: 3
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98000
  • LogP: 2.65630

Methyl 5,6-dichloro-1H-indazole-3-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Methyl 5,6-dichloro-1H-indazole-3-carboxylate

Methyl 5,6-dichloro-1H-indazole-3-carboxylate (CAS No. 885278-48-8): A Versatile Building Block in Medicinal Chemistry

The Methyl 5,6-dichloro-1H-indazole-3-carboxylate (CAS No. 885278-48-8) is an important heterocyclic compound that has gained significant attention in pharmaceutical research and organic synthesis. This indazole derivative serves as a crucial chemical intermediate for developing various biologically active molecules, particularly in the field of kinase inhibitors and anticancer agents.

With the molecular formula C9H6Cl2N2O2, this compound features a unique dichloro-substituted indazole core structure that makes it particularly valuable for structure-activity relationship (SAR) studies. The presence of both chloro substituents at the 5 and 6 positions, along with the methyl carboxylate group at position 3, provides multiple sites for further chemical modifications.

Recent trends in medicinal chemistry show growing interest in indazole-based compounds, as evidenced by increasing searches for "indazole derivatives in drug discovery" and "heterocyclic compounds for pharmaceutical applications". The Methyl 5,6-dichloro-1H-indazole-3-carboxylate serves as a key precursor for developing molecules that target various disease pathways, particularly in oncology research where small molecule inhibitors are in high demand.

The compound's synthetic utility stems from its ability to participate in numerous cross-coupling reactions, making it valuable for creating diverse molecular libraries. Pharmaceutical researchers frequently search for "indazole carboxylate building blocks" and "chloro-substituted heterocycles" when designing new drug candidates, highlighting the relevance of this compound in current drug development pipelines.

From a chemical perspective, Methyl 5,6-dichloro-1H-indazole-3-carboxylate demonstrates excellent stability under standard laboratory conditions, with a melting point typically ranging between 180-185°C. Its solubility profile makes it suitable for various organic transformations, dissolving well in common solvents like dimethyl sulfoxide (DMSO) and dichloromethane while being less soluble in water.

In the context of green chemistry initiatives, researchers are exploring more sustainable methods to synthesize such functionalized indazoles. Search queries like "eco-friendly synthesis of indazole derivatives" and "green chemistry approaches to heterocycles" reflect this growing interest, positioning Methyl 5,6-dichloro-1H-indazole-3-carboxylate as a compound of interest in sustainable pharmaceutical development.

The compound's application extends beyond medicinal chemistry into material science, where indazole-based materials are being investigated for their electronic properties. This dual applicability makes Methyl 5,6-dichloro-1H-indazole-3-carboxylate particularly valuable in interdisciplinary research, addressing search trends for "multifunctional heterocyclic compounds" and "organic electronic materials".

Quality control of Methyl 5,6-dichloro-1H-indazole-3-carboxylate typically involves HPLC analysis to ensure high purity (>98%), which is crucial for pharmaceutical applications. Analytical chemists often search for "HPLC methods for indazole analysis" and "characterization of nitrogen heterocycles", indicating the importance of proper analytical techniques for this class of compounds.

As the pharmaceutical industry continues to explore targeted therapies, the demand for specialized chemical building blocks like Methyl 5,6-dichloro-1H-indazole-3-carboxylate is expected to grow. The compound's versatility in creating selective kinase inhibitors positions it as a valuable tool in addressing current challenges in drug discovery, particularly in the development of precision medicines.

Storage and handling recommendations for Methyl 5,6-dichloro-1H-indazole-3-carboxylate include protection from moisture and storage at room temperature in well-sealed containers. These practical considerations are frequently searched by laboratory professionals looking for "best practices for handling heterocyclic compounds" and "chemical storage guidelines".

The global market for pharmaceutical intermediates continues to expand, with Methyl 5,6-dichloro-1H-indazole-3-carboxylate representing one of many specialized compounds driving innovation in drug development. Industry analysts tracking "emerging chemical intermediates" and "growth trends in heterocyclic chemistry" recognize the potential of such molecules in shaping future therapeutic options.

In conclusion, Methyl 5,6-dichloro-1H-indazole-3-carboxylate (CAS No. 885278-48-8) stands as a significant chemical building block with wide-ranging applications in medicinal chemistry and material science. Its unique structural features and synthetic versatility make it an important tool for researchers developing next-generation pharmaceutical compounds and functional materials.

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