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CS-W001157 4
Total: USD 88.00

Ethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate

  • CAS No. 1016-40-6

  • Cat. No. CS-0569906
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate|CS-0569906

Structure of 1016-40-6

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General Information

  • CAS No. 1016-40-6
  • Cat. No. CS-0569906
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁N₃O₄
  • Molecular Weight 213.19
  • Synonym(s) Imidazole-1-acetic acid, 2-methyl-5-nitro-, ethyl ester
  • SMILES CCOC(=O)CN1C(=NC=C1[N+](=O)[O-])C

Synthesis

  • Route1
    • 2-Methyl-5-nitroimidazole Tinidazole Impurity|CS-0229738
      696-23-1
    • null|null
      105-39-5
    • ~82%
    • Ethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate|CS-0569906
      1016-40-6

    References

    • Frank, Priya V.; Kalluraya, Balakrishna Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 7 p. 1456 - 1459
  • Route2

    References

    • Mirzaei, Javad; Amini, Mohsen; Pirelahi, Hooshang; Shafiee, Abbas Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 3 p. 921 - 925
  • Route3
    • 2-Methyl-5-nitroimidazole Tinidazole Impurity|CS-0229738
      696-23-1
    • null|null
      105-36-2
    • ~%
    • Ethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate|CS-0569906
      1016-40-6

    References

    • Varshney, Vandana; Mishra, Nripendra N.; Shukla, Praveen K.; Sahu, Devi P. European Journal of Medicinal Chemistry, 2010 , vol. 45, # 2 p. 661 - 666

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   87.26
  • LogP   0.66282
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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