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CS-W001157 4
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Methyl 4-amino-5-cyanothiophene-2-carboxylate

  • CAS No. 648412-51-5

  • Cat. No. CS-0103309
  • Purity≥97%
  • MDL No.MFCD20702628

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

Methyl 4-amino-5-cyanothiophene-2-carboxylate|CS-0103309

Structure of 648412-51-5

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General Information

  • CAS No. 648412-51-5
  • Cat. No. CS-0103309
  • Purity ≥97%
  • MDL No. MFCD20702628
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₂S
  • Molecular Weight 182.20
  • Synonym(s) 2-Thiophenecarboxylic acid, 4-amino-5-cyano-, methyl ester
  • SMILES O=C(OC)C1=CC(N)=C(S1)C#N

Synthesis

  • Route1
    • null|null
      648412-49-1
    • ~70%
    • Methyl 4-amino-5-cyanothiophene-2-carboxylate|CS-0103309
      648412-51-5

    References

    • PHARMACIA ITALIA S.P.A. Patent: WO2004/7504 A1, 2004 ; Location in patent: Page 37-38 ; WO 2004/007504 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   76.11
  • LogP   0.98858
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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