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CS-W001157 4
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Methyl 2-Cyano-3-methyl-2-butenoate

  • CAS No. 6666-75-7

  • Cat. No. CS-0134627
  • Molecule weight139.15
  • Purity≥97%
  • MDL No.MFCD00085476

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

Methyl 2-Cyano-3-methyl-2-butenoate|CS-0134627

Structure of 6666-75-7

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General Information

  • CAS No. 6666-75-7
  • Cat. No. CS-0134627
  • Purity ≥97%
  • MDL No. MFCD00085476
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) Methyl 2-cyano-3-methylcrotonate
  • SMILES C/C(C)=C(C#N)\C(OC)=O

Synthesis

  • Route1

    References

    • BASF Aktiengesellschaft Patent: US6441044 B1, 2002 ;
  • Route2
    • null|null
      67-64-1
    • In-stock
      Methyl 2-cyanoacetate|CS-W016657
      105-34-0
    • ~53%
    • In-stock
      Methyl 2-Cyano-3-methyl-2-butenoate|CS-0134627
      6666-75-7

    References

    • Tasnadi, Gabor; Winkler, Christoph K.; Clay, Dorina; Sultana, Nargis; Fabian, Walter M. F.; Hall, Melanie; Ditrich, Klaus; Faber, Kurt Chemistry - A European Journal, 2012 , vol. 18, # 33 p. 10362 - 10367
  • Route3

    References

    • Valla, Alain; Andriamialisoa, Zo; Valla, Benoist; Labia, Roger; Le Guillou, Regis; Dufosse, Laurent; Cartier, Dominique European Journal of Organic Chemistry, 2007 , # 4 p. 711 - 715

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.01938
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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