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CS-W001157 4
Total: USD 88.00

1-Methyl-5-nitroimidazole

  • CAS No. 3034-42-2

  • Cat. No. CS-W002392
  • Purity≥98%
  • MDL No.MFCD00126968

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

1-Methyl-5-nitroimidazole|CS-W002392

Structure of 3034-42-2

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General Information

  • CAS No. 3034-42-2
  • Cat. No. CS-W002392
  • Purity ≥98%
  • MDL No. MFCD00126968
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) 1-methyl-5-nitro-1H-imidazole
  • SMILES [O-][N+](=O)c1cncn1C

Description

1-Methyl-5-nitroimidazole delivers a robust imidazole scaffold with a nitro group at the 5-position and a methyl substituent at the 1-position, enabling direct integration into bioactive molecule frameworks. This bench-stable, moisture-tolerant heterocycle serves as a critical building block for medicinal chemistry campaigns targeting antimicrobial and antiparasitic agents.

Application

1-Methyl-5-nitroimidazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the synthesis of bioactive compounds through established functional group transformations. Its stability under standard reaction conditions and compatibility with common coupling protocols facilitate efficient derivatization. The molecule functions as a key scaffold in antimicrobial and antiparasitic agent development, offering predictable reactivity for C2- and C4-substitution.

Synthesis

  • Route1
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • null|null
      77-78-1
    • ~79%
    • In-stock
      1-Methyl-5-nitroimidazole|CS-W002392
      3034-42-2

    References

    • Samant, Bhupesh S.; Sukhthankar, Mugdha G. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 3 p. 1015 - 1018
  • Route2
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • ~82%
    • In-stock
      1-Methyl-5-nitroimidazole|CS-W002392
      3034-42-2

    References

    • BASF Aktiengesellschaft Patent: US4021442 A1, 1977 ;
  • Route3
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • null|null
      80-48-8
    • ~%
    • In-stock
      1-Methyl-5-nitroimidazole|CS-W002392
      3034-42-2

    References

    • US4010176 A1, ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   0.3283
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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