Cas no 74531-82-1 (1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester)

1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester is a heterocyclic organic compound featuring an imidazole core substituted with methyl groups at the 1 and 5 positions and an ethyl ester at the 4-carboxylic acid position. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical intermediates. The ethyl ester group enhances solubility in organic solvents, facilitating further derivatization. The dimethyl substitution pattern may influence reactivity and stability, making it suitable for selective functionalization. Its well-defined molecular framework is advantageous for researchers requiring precise modifications in imidazole-based scaffolds. The compound’s purity and consistent performance are critical for reproducibility in complex synthetic pathways.
1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester structure
74531-82-1 structure
Product Name:1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester
CAS No:74531-82-1
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD22419243
CID:540872
PubChem ID:13143714
Update Time:2025-05-28

1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester
    • 1,5-dimethyl-4-carbethoxyimidazole
    • ethyl 1,5-dimethylimidazole-4-carboxylate
    • DTXSID70521515
    • MFCD22419243
    • AS-79427
    • D86220
    • SCHEMBL5727138
    • 74531-82-1
    • EN300-5187062
    • ethyl 1,5-dimethyl-1h-imidazole-4-carboxylate
    • SY343123
    • DB-301144
    • MDL： MFCD22419243
    • Inchi： 1S/C8H12N2O2/c1-4-12-8(11)7-6(2)10(3)5-9-7/h5H,4H2,1-3H3
    • InChI Key： XISDGVNPWBQMEP-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=C(C)N(C)C=N1)=O

Computed Properties

  • Exact Mass: 168.089877630g/mol
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 1
  • Topological Polar Surface Area: 44.1?2

1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, ethyl ester Pricemore >>

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