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CS-W001157 4
Total: USD 88.00

2,2-Diethoxyacetonitrile

  • CAS No. 6136-93-2

  • Cat. No. CS-W013452
  • Purity≥95%
  • MDL No.MFCD00043982

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

2,2-Diethoxyacetonitrile|CS-W013452

Structure of 6136-93-2

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General Information

  • CAS No. 6136-93-2
  • Cat. No. CS-W013452
  • Purity ≥95%
  • MDL No. MFCD00043982
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₂
  • Molecular Weight 129.16
  • Synonym(s) Diethoxyacetonitrile
  • SMILES CCOC(OCC)C#N

Description

Diethoxyacetonitrile is a 2,2-dialkoxyalkanenitrile derivative. Reaction of hydrocyanic acid with various ortho esters of aliphatic and aromatic acids in the presence of acidic catalyst has been reported to afford diethoxyacetonitrile. Houben-Hoesch reaction of diethoxyacetonitrile with 1,2,4-trimethoxybenzene affords tris(2,4,5-trimethoxyphenyl)methane.Diethoxyacetonitrile may be used in the preparation of methyl 5-diethoxymethylimidazole-4-carboxylate, via anionic cycloaddition reaction with methyl isocyanoacetate.

Synthesis

  • Route1

    References

    • Inami; Shiba Bulletin of the Chemical Society of Japan, 1985 , vol. 58, # 1 p. 352 - 360
  • Route2
    • null|null
      7677-24-9
    • null|null
      122-51-0
    • ~83%
    • In-stock
      2,2-Diethoxyacetonitrile|CS-W013452
      6136-93-2

    References

    • Utimoto, Kiitiro; Wakabayashi, Yukio; Horiie,Takafumi; Inoue, Masaharu; Shishiyama, Yuho; et al. Tetrahedron, 1983 , vol. 39, # 6 p. 967 - 974
  • Route3

    References

    • Heterocycles, , vol. 13, p. 175 - 180

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302+H312+H332
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   0.90908
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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