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Methyl 3-amino-5-nitrothiophene-2-carboxylate

  • CAS No. 113899-36-8

  • Cat. No. CS-0216615
  • Molecule weight202.19
  • Purity≥97%
  • MDL No.None

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

Methyl 3-amino-5-nitrothiophene-2-carboxylate|CS-0216615

Structure of 113899-36-8

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General Information

  • CAS No. 113899-36-8
  • Cat. No. CS-0216615
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₄S
  • Molecular Weight 202.19
  • Synonym(s) 2-Thiophenecarboxylicacid,3-amino-5-nitro-,methylester(9CI)
  • SMILES COC(=O)C1=C(C=C([N+](=O)[O-])S1)N

Synthesis

  • Route1

    References

    • Elliot, Richard, L.; O'Hanlon, Peter J.; Rogers, Norman H. Tetrahedron, 1987 , vol. 43, # 14 p. 3295 - 3302
  • Route2

    References

    • Redman, Aniko M; Johnson, Jeffrey S.; Dally, Robert; Swartz, Steve; Wild, Hanno; Paulsen, Holger; Caringal, Yolanda; Gunn, David; Renick, Joel; Osterhout, Martin; Kingery-Wood, Jill; Smith, Roger A.; Lee, Wendy; Dumas, Jacques; Wilhelm, Scott M.; Housley, Timothy J.; Bhargava, Ajay; Ranges, Gerald E.; Shrikhande, Alka; Young, Deborah; Bombara, Michael; Scott, William J. Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 1 p. 9 - 12
  • Route3

    References

    • Redman, Aniko M; Johnson, Jeffrey S.; Dally, Robert; Swartz, Steve; Wild, Hanno; Paulsen, Holger; Caringal, Yolanda; Gunn, David; Renick, Joel; Osterhout, Martin; Kingery-Wood, Jill; Smith, Roger A.; Lee, Wendy; Dumas, Jacques; Wilhelm, Scott M.; Housley, Timothy J.; Bhargava, Ajay; Ranges, Gerald E.; Shrikhande, Alka; Young, Deborah; Bombara, Michael; Scott, William J. Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 1 p. 9 - 12

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   1.0251
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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