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CS-W001157 4
Total: USD 88.00

Ethyl(E)-3-(3-aminophenyl)acrylate

  • CAS No. 125872-97-1

  • Cat. No. CS-0172249
  • Purity≥98%
  • MDL No.None

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

Ethyl(E)-3-(3-aminophenyl)acrylate|CS-0172249

Structure of 125872-97-1

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General Information

  • CAS No. 125872-97-1
  • Cat. No. CS-0172249
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) Ethyl trans-3-aminocinnamate
  • SMILES CCOC(=O)/C=C/C1=CC(=CC=C1)N

Synthesis

  • Route1
    • (E)-Ethyl 3-(3-nitrophenyl)acrylate|CS-0900511
      621-19-2
    • ~97%
    • Ethyl(E)-3-(3-aminophenyl)acrylate|CS-0172249
      125872-97-1

    References

    • PHARMAGENE LABORATORIES LIMITED Patent: WO2005/80367 A1, 2005 ; Location in patent: Page/Page column 68; 115 ;
  • Route2

    References

    • Fontan, Noelia; Garcia-Dominguez, Patricia; Alvarez, Rosana; De Lera, Angel R. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 7 p. 2056 - 2067
  • Route3
    • null|null
      598-21-0
    • null|null
      100-61-8
    • ~%
    • Acetamide, n-(2-bromophenyl)-n-methyl-|CS-0723445
      153704-11-1
    • Ethyl(E)-3-(3-aminophenyl)acrylate|CS-0172249
      125872-97-1

    References

    • Rhone-Poulenc Rorer S.A. Patent: US5563136 A1, 1996 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.8451
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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