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CS-W001157 4
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3-Oxo-3-(thiophen-3-yl)propanenitrile

  • CAS No. 69879-30-7

  • Cat. No. CS-0055268
  • Molecule weight151.19
  • Purity≥98%
  • MDL No.MFCD00111016

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

3-Oxo-3-(thiophen-3-yl)propanenitrile|CS-0055268

Structure of 69879-30-7

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General Information

  • CAS No. 69879-30-7
  • Cat. No. CS-0055268
  • Purity ≥98%
  • MDL No. MFCD00111016
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NOS
  • Molecular Weight 151.19
  • Synonym(s) None
  • SMILES C1=CSC=C1C(=O)CC#N

Description

3-Oxo-3-(thiophen-3-yl)propanenitrile features a conjugated system linking a thiophene ring to a nitrile-bearing ketone, enabling direct integration into heterocyclic synthesis. This electron-deficient scaffold facilitates nucleophilic addition and Michael-type reactions under mild conditions, offering high functional group tolerance and compatibility with common organic transformations.

Application

3-Oxo-3-(thiophen-3-yl)propanenitrile serves as a versatile synthetic building block for constructing heterocyclic scaffolds, particularly in the synthesis of fused thienopyridines and related bioactive frameworks. Its α,β-unsaturated nitrile functionality enables efficient Michael additions and cyclocondensations under mild conditions. The molecule exhibits good bench stability, facilitates straightforward purification, and demonstrates broad functional group tolerance in multistep syntheses.

Synthesis

  • Route1
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      138716-30-0
    • ~%
    • In-stock
      3-Oxo-3-(thiophen-3-yl)propanenitrile|CS-0055268
      69879-30-7

    References

    • US2002/147339 A1, ; US 20020147339 A1

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.84448
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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