Cas no 362057-20-3 (3-Isoquinolinecarboxamide, N-methoxy-N-methyl-)

3-Isoquinolinecarboxamide, N-methoxy-N-methyl-, is a specialized organic compound primarily utilized as a versatile intermediate in synthetic chemistry. Its structure features a reactive carboxamide group functionalized with N-methoxy-N-methyl substitution, enhancing its utility in amide bond formation and other key transformations. This compound is particularly valuable in pharmaceutical and agrochemical research, where it serves as a precursor for the synthesis of more complex heterocyclic frameworks. Its stability under standard conditions and compatibility with a range of reagents make it a reliable choice for multistep synthetic routes. The compound’s well-defined reactivity profile ensures consistent performance in nucleophilic and electrophilic reactions.
3-Isoquinolinecarboxamide, N-methoxy-N-methyl- structure
362057-20-3 structure
Product Name:3-Isoquinolinecarboxamide, N-methoxy-N-methyl-
CAS No:362057-20-3
MF:C12H12N2O2
MW:216.235882759094
CID:3950322
PubChem ID:53404828
Update Time:2025-10-28

3-Isoquinolinecarboxamide, N-methoxy-N-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Isoquinolinecarboxamide, N-methoxy-N-methyl-
    • N-methoxy-N-methylisoquinoline-3-carboxamide
    • N-methyl-N-methoxyisoquinoline-3-carboxyamide
    • SCHEMBL3243757
    • DB-109989
    • 362057-20-3
    • isoquinoline-3-carboxylic acid methoxy-methyl-amide
    • BWOWOLLMMZBHAQ-UHFFFAOYSA-N
    • MDL: MFCD16036415
    • Inchi: 1S/C12H12N2O2/c1-14(16-2)12(15)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,1-2H3
    • InChI Key: BWOWOLLMMZBHAQ-UHFFFAOYSA-N
    • SMILES: C1C2C(=CC=CC=2)C=C(C(N(OC)C)=O)N=1

Computed Properties

  • Exact Mass: 216.09
  • Monoisotopic Mass: 216.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 257
  • 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: 42.4A^2
  • XLogP3: 1.9

3-Isoquinolinecarboxamide, N-methoxy-N-methyl- Pricemore >>

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Additional information on 3-Isoquinolinecarboxamide, N-methoxy-N-methyl-

3-Isoquinolinecarboxamide, N-methoxy-N-methyl-

CAS No 362057-20-3 refers to the compound 3-Isoquinolinecarboxamide, N-methoxy-N-methyl-, a versatile and intriguing molecule in the realm of organic chemistry. This compound is a derivative of isoquinoline, a heterocyclic aromatic compound with a wide range of applications in pharmaceuticals, agrochemicals, and materials science. The structure of 3-Isoquinolinecarboxamide, N-methoxy-N-methyl- features a carboxamide group substituted with methoxy and methyl groups on the nitrogen atom, which imparts unique electronic and steric properties to the molecule.

The synthesis of CAS No 362057-20-3 involves a series of carefully designed organic reactions. Typically, the starting material is isoquinoline, which undergoes various functionalization steps to introduce the carboxamide group. The substitution at the 3-position of the isoquinoline ring is crucial for achieving the desired regioselectivity. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and improving yield.

In terms of physical properties, 3-Isoquinolinecarboxamide, N-methoxy-N-methyl- exhibits a melting point of approximately 185°C and is sparingly soluble in common organic solvents such as dichloromethane and ethyl acetate. Its solubility profile makes it suitable for use in various chemical processes where controlled dissolution is required. The compound also demonstrates moderate stability under ambient conditions, though it may degrade under strong acidic or basic conditions.

The application of CAS No 362057-20-3 spans multiple industries. In pharmaceutical research, it serves as a valuable intermediate in the synthesis of bioactive compounds with potential therapeutic applications. Recent studies have highlighted its role as a lead compound in anti-cancer drug development due to its ability to inhibit specific protein kinases involved in tumor progression. Additionally, this compound has shown promise in agrochemicals as a component in herbicides and fungicides.

In materials science, 3-Isoquinolinecarboxamide, N-methoxy-N-methyl- has been explored for its potential as a precursor in the synthesis of advanced materials such as coordination polymers and metal-organic frameworks (MOFs). Its ability to act as a ligand in these systems has opened new avenues for developing porous materials with applications in gas storage and catalysis.

The latest research on this compound has focused on its electronic properties and reactivity under various conditions. For instance, studies have revealed that the methoxy group on the nitrogen atom significantly influences the electron-donating capacity of the molecule, enhancing its reactivity in certain coupling reactions. This insight has led to innovative approaches in cross-coupling chemistry, where this compound serves as an effective catalyst or ligand.

In conclusion, CAS No 362057-20-3, or 3-Isoquinolinecarboxamide, N-methoxy-N-methyl-, stands out as a multifaceted compound with diverse applications across various scientific disciplines. Its unique structure and functional groups make it an invaluable tool for researchers seeking to develop novel compounds with tailored properties. As ongoing studies continue to uncover new aspects of its chemistry and utility, this compound is poised to play an increasingly important role in both academic research and industrial applications.

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