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CS-W001157 4
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Methyl 3-amino-5-phenylthiophene-2-carboxylate

  • CAS No. 100063-22-7

  • Cat. No. CS-W012927
  • Molecule weight233.29
  • Purity≥98%
  • MDL No.MFCD00068161

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

Methyl 3-amino-5-phenylthiophene-2-carboxylate|CS-W012927

Structure of 100063-22-7

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General Information

  • CAS No. 100063-22-7
  • Cat. No. CS-W012927
  • Purity ≥98%
  • MDL No. MFCD00068161
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂S
  • Molecular Weight 233.29
  • Synonym(s) methyl-3-amino-5-phenylthiophene-2-carboxylate
  • SMILES O=C(C1=C(N)C=C(C2=CC=CC=C2)S1)OC

Synthesis

  • Route1
    • 3-Chloro-3-phenyl-2-propenenitrile|CS-0647549
      78583-84-3
    • null|null
      2365-48-2
    • ~50%
    • In-stock
      Methyl 3-amino-5-phenylthiophene-2-carboxylate|CS-W012927
      100063-22-7

    References

    • LAILA NUTRACEUTICALS Patent: US2010/68178 A1, 2010 ; Location in patent: Page/Page column 14 ;
  • Route2
    • null|null
      2365-48-2
    • null|null
      68-12-2
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • ~%
    • In-stock
      Methyl 3-amino-5-phenylthiophene-2-carboxylate|CS-W012927
      100063-22-7

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 24 p. 7095 - 7107
  • Route3
    • null|null
      536-74-3
    • ~%
    • In-stock
      Methyl 3-amino-5-phenylthiophene-2-carboxylate|CS-W012927
      100063-22-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 1 p. 9 - 12

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.7839
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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