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CS-W001157 4
Total: USD 88.00

Methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate

  • CAS No. 91076-95-8

  • Cat. No. CS-0301855
  • Purity≥97%
  • MDL No.None

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

Methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate|CS-0301855

Structure of 91076-95-8

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General Information

  • CAS No. 91076-95-8
  • Cat. No. CS-0301855
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀BrNO₂S
  • Molecular Weight 312.18
  • Synonym(s) None
  • SMILES COC(=O)C1=C(C=C(C2=CC=C(C=C2)Br)S1)N

Synthesis

  • Route1
    • 3-(4-Bromophenyl)-3-chloroacrylonitrile|CS-0570610
      78583-87-6
    • null|null
      2365-48-2
    • ~%
    • Methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate|CS-0301855
      91076-95-8

    References

    • Hartmann, Horst; Liebscher, Juergen Synthesis, 1984 , # 3 p. 275 - 276
  • Route2
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • null|null
      2365-48-2
    • null|null
      68-12-2
    • ~%
    • Methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate|CS-0301855
      91076-95-8

    References

    • Tavares, Francis X.; Al-Barazanji, Kamal A.; Bigham, Eric C.; Bishop, Michael J.; Britt, Christy S.; Carlton, David L.; Feldman, Paul L.; Goetz, Aaron S.; Grizzle, Mary K.; Guo, Yu C.; Handlon, Anthony L.; Hertzog, Donald L.; Ignar, Diane M.; Lang, Daniel G.; Ott, Ronda J.; Peat, Andrew J.; Zhou, Hui-Qiang Journal of Medicinal Chemistry, 2006 , vol. 49, # 24 p. 7095 - 7107
  • Route3

    References

    • Sahner, J. Henning; Groh, Matthias; Negri, Matthias; Haupenthal, Joerg; Hartmann, Rolf W. European Journal of Medicinal Chemistry, 2013 , vol. 65, p. 223 - 231

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   3.5464
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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