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CS-W001157 4
Total: USD 88.00

2-Cyano-N,N-dimethylacetamide

  • CAS No. 7391-40-4

  • Cat. No. CS-W013659
  • Purity≥95%
  • MDL No.MFCD00051623

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

2-Cyano-N,N-dimethylacetamide|CS-W013659

Structure of 7391-40-4

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General Information

  • CAS No. 7391-40-4
  • Cat. No. CS-W013659
  • Purity ≥95%
  • MDL No. MFCD00051623
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₂O
  • Molecular Weight 112.13
  • Synonym(s) N1,N1-DIMETHYL-2-CYANOACETAMIDE
  • SMILES O=C(N(C)C)CC#N

Description

2-Cyano-N,N-dimethylacetamide features a nitrile group flanked by a dimethylamino carbonyl, delivering high polarity and enhanced solubility in polar aprotic solvents. This structural combination enables efficient participation in nucleophilic reactions, particularly in the synthesis of heterocycles and functionalized intermediates under standard conditions.

Application

2-Cyano-N,N-dimethylacetamide serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized intermediates. Its nitrile group exhibits predictable reactivity in nucleophilic additions and cyclization reactions, while the N,N-dimethylamino moiety enhances solubility and facilitates purification. The compound demonstrates bench stability and compatibility with diverse reaction conditions, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      372-09-8
    • null|null
      124-40-3
    • ~%
    • In-stock
      2-Cyano-N,N-dimethylacetamide|CS-W013659
      7391-40-4

    References

    • Journal of the American Chemical Society, , vol. 131, p. 6970 - 6972
  • Route2
    • null|null
      124-40-3
    • null|null
      105-56-6
    • ~65%
    • In-stock
      2-Cyano-N,N-dimethylacetamide|CS-W013659
      7391-40-4

    References

    • Tkachenko, V. V.; Tregub, N. G.; Knyazev, A. P.; Mezheritskii, V. V. Journal of Organic Chemistry USSR (English Translation), 1990 , vol. 26, # 3.2 p. 548 - 556 Zhurnal Organicheskoi Khimii, 1990 , vol. 26, # 3 p. 638 - 649
  • Route3
    • null|null
      131297-22-8
    • null|null
      75-31-0
    • ~61%
    • In-stock
      2-Cyano-N,N-dimethylacetamide|CS-W013659
      7391-40-4

    References

    • Cheikh, Abdelhamid Ben; Chuche, Josselin; Manisse, Noel; Pommelet, Jean Claude; Netsch, Klaus-Peter; et al. Journal of Organic Chemistry, 1991 , vol. 56, # 3 p. 970 - 975

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

Quality Control

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Computational Chemistry Data

  • TPSA   44.1
  • LogP   -0.01172
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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