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CS-W001157 4
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3-(Furan-2-yl)-3-oxopropanenitrile

  • CAS No. 31909-58-7

  • Cat. No. CS-W013361
  • Purity≥98%
  • MDL No.MFCD00052210

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

3-(Furan-2-yl)-3-oxopropanenitrile|CS-W013361

Structure of 31909-58-7

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General Information

  • CAS No. 31909-58-7
  • Cat. No. CS-W013361
  • Purity ≥98%
  • MDL No. MFCD00052210
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂
  • Molecular Weight 135.12
  • Synonym(s) 2-Furoylacetonitrile
  • SMILES N#CCC(C1=CC=CO1)=O

Description

3-(Furan-2-yl)-3-oxopropanenitrile features a conjugated enone nitrile system flanked by a furan ring, enabling participation in diverse heterocyclic syntheses. This electron-deficient acrylonitrile derivative integrates readily into Michael additions and cycloaddition cascades under mild conditions, offering efficient access to functionalized heterocycles with enhanced stability.

Application

3-(Furan-2-yl)-3-oxopropanenitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to fused pyrrole and furan ring systems via [3+2] cycloadditions or Michael additions. Its α,β-unsaturated nitrile and ketone functionalities exhibit high reactivity in nucleophilic transformations, offering excellent functional group tolerance and bench stability for scalable synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-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   54
  • LogP   1.37598
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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