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Diethyl 2-((thiophen-3-ylamino)methylene)malonate

  • CAS No. 65076-02-0

  • Cat. No. CS-0361263
  • Molecule weight269.32
  • Purity≥98%
  • MDL No.MFCD00122043

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

Diethyl 2-((thiophen-3-ylamino)methylene)malonate|CS-0361263

Structure of 65076-02-0

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General Information

  • CAS No. 65076-02-0
  • Cat. No. CS-0361263
  • Purity ≥98%
  • MDL No. MFCD00122043
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₄S
  • Molecular Weight 269.32
  • Synonym(s) Diethyl {[(thiophen-3-yl)amino]methylidene}propanedioate
  • SMILES CCOC(=O)C(=CNC1=CSC=C1)C(=O)OCC

Synthesis

  • Route1

    References

    • Larsen, Scott D.; May, Paul; Romines, Karen; Schnute, Mark E.; Tanis, Steven P. Patent: US2004/138449 A1, 2004 ; Location in patent: Page 17 ;
  • Route2

    References

    • Malicorne; Bompart; Giral; Despaux European Journal of Medicinal Chemistry, 1991 , vol. 26, # 1 p. 3 - 11
  • Route3

    References

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

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   2.1701
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   6

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