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CS-W001157 4
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1-Methyl-2-nitro-1H-Imidazole-5-carboxylic acid

  • CAS No. 50700-55-5

  • Cat. No. CS-M2112
  • Molecule weight171.11
  • Purity≥98%
  • MDL No.MFCD19443277

*For research and further manufacturing use only, not for direct human use.

1-Methyl-2-nitro-1H-Imidazole-5-carboxylic acid|CS-M2112

Structure of 50700-55-5

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General Information

  • CAS No. 50700-55-5
  • Cat. No. CS-M2112
  • Purity ≥98%
  • MDL No. MFCD19443277
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) 1-methyl-2-nitro-1H-imidazole-5-carboxylicacid
  • SMILES O=C(C1=CN=C([N+]([O-])=O)N1C)O

Description

1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid features a fused heterocyclic core with complementary electron-withdrawing nitro and carboxylic acid groups, enabling direct functionalization in synthetic routes. The methyl substitution enhances solubility and stability under standard conditions. This compound serves as a key building block for bioactive imidazole derivatives in medicinal chemistry and materials science.

Application

1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group manipulations. Its compatibility with diverse reaction conditions—particularly in amide coupling and nucleophilic substitution—facilitates rapid access to imidazole-based scaffolds. The molecule exhibits bench stability, ease of purification, and predictable reactivity, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Hay, Michael P.; Wilson, William R.; Denny, William A. Tetrahedron, 2000 , vol. 56, # 4 p. 645 - 657

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.0265
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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