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CS-W001157 4
Total: USD 88.00

2-Methyl-3-oxobutanenitrile

  • CAS No. 4468-47-7

  • Cat. No. CS-0171662
  • Purity≥98%
  • MDL No.None

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

2-Methyl-3-oxobutanenitrile|CS-0171662

Structure of 4468-47-7

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General Information

  • CAS No. 4468-47-7
  • Cat. No. CS-0171662
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇NO
  • Molecular Weight 97.12
  • Synonym(s) 2-CYANO-3-BUTANONE
  • SMILES CC(C#N)C(=O)C

Synthesis

  • Route1
    • null|null
      123-86-4
    • null|null
      107-12-0
    • ~67%
    • 2-Methyl-3-oxobutanenitrile|CS-0171662
      4468-47-7

    References

    • Bai, Renren; Wei, Zhen; Liu, Jie; Xie, Weijia; Yao, Hequan; Wu, Xiaoming; Jiang, Jieyun; Wang, Qiujuan; Xu, Jinyi Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 15 p. 4661 - 4667
  • Route2
    • null|null
      19483-78-4
    • ~%
    • 2-Methyl-3-oxobutanenitrile|CS-0171662
      4468-47-7

    References

    • Goasdoue,N.; Gaudemar,M. Journal of Organometallic Chemistry, 1974 , vol. 71, p. 325 - 333
  • Route3
    • null|null
      141-78-6
    • null|null
      107-12-0
    • ~33%
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • 2-Methyl-3-oxobutanenitrile|CS-0171662
      4468-47-7

    References

    • Foehlisch, Baldur; Herter, Rolf; Wolf, Elisabeth; Stezowski, John J.; Eckle, Emil Chemische Berichte, 1982 , vol. 115, # 1 p. 355 - 380

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   0.73508
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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