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tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate

  • CAS No. 67974-08-7

  • Cat. No. CS-0108285
  • Molecule weight226.23
  • Purity95+%
  • MDL No.MFCD00631285

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

tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate|CS-0108285

Structure of 67974-08-7

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General Information

  • CAS No. 67974-08-7
  • Cat. No. CS-0108285
  • Purity 95+%
  • MDL No. MFCD00631285
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₄
  • Molecular Weight 226.23
  • Synonym(s) 1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid tert-butyl ester
  • SMILES O=C(C1=CC([N+]([O-])=O)=CN1C)OC(C)(C)C

Synthesis

  • Route1
    • 1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid|CS-0102902
      13138-78-8
    • null|null
      115-11-7
    • ~83%
    • tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate|CS-0108285
      67974-08-7

    References

    • Kumar, Rohtash; Lown, J William Organic and biomolecular chemistry, 2003 , vol. 1, # 15 p. 2630 - 2647
  • Route2

    References

    • Wurtz, Nicholas R.; Turner, James M.; Baird, Eldon E.; Dervan, Peter B. Organic Letters, 2001 , vol. 3, # 8 p. 1201 - 1203
  • Route3

    References

    • Wurtz, Nicholas R.; Turner, James M.; Baird, Eldon E.; Dervan, Peter B. Organic Letters, 2001 , vol. 3, # 8 p. 1201 - 1203

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   74.37
  • LogP   1.8886
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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