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2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile

  • CAS No. 23023-16-7

  • Cat. No. CS-0308002
  • Molecule weight205.25
  • Purity95+%
  • MDL No.None

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

2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile|CS-0308002

Structure of 23023-16-7

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General Information

  • CAS No. 23023-16-7
  • Cat. No. CS-0308002
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₂
  • Molecular Weight 205.25
  • Synonym(s) 2-(3,4-dimethoxyphenyl)-2-methylpropionitrile
  • SMILES CC(C)(C#N)C1=CC(=C(C=C1)OC)OC

Synthesis

  • Route1

    References

    • EXELIXIS, INC.; BOLLU, Venkataiah; BOREN, Brant, Clayton; DALGARD, Jackline, Eve; FLATT, Brenton, T.; HAQ, Nadia; HUDSON, Sarah; MOHAN, Raju; MORRISSEY, Michael; PRATT, Benjamin; WANG, Tie-lin Patent: WO2010/93845 A1, 2010 ; Location in patent: Page/Page column 133 ; WO 2010/093845 A1
  • Route2

    References

    • Caron, Stephane; Vazquez, Enrique; Wojcik, Jill M. Journal of the American Chemical Society, 2000 , vol. 122, # 4 p. 712 - 713
  • Route3
    • 2-(3,4-Dimethoxyphenyl)propanenitrile|CS-1676164
      51698-53-4
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      74-88-4
    • ~%
    • 2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile|CS-0308002
      23023-16-7

    References

    • Ling; Kim; Sayre Journal of the American Chemical Society, 2001 , vol. 123, # 39 p. 9606 - 9611

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   2.50498
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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