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CS-W001157 4
Total: USD 88.00

Methyl 3-cyano-4-methylbenzoate

  • CAS No. 35066-32-1

  • Cat. No. CS-0188817
  • Purity≥95%
  • MDL No.MFCD12405069

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

Methyl 3-cyano-4-methylbenzoate|CS-0188817

Structure of 35066-32-1

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General Information

  • CAS No. 35066-32-1
  • Cat. No. CS-0188817
  • Purity ≥95%
  • MDL No. MFCD12405069
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) Methyl3-cyano-4-Methylbenzoate35066-32-1
  • SMILES O=C(OC)C1=CC=C(C)C(C#N)=C1

Synthesis

  • Route1

    References

    • Eli Lilly and Company Patent: US6417200 B1, 2002 ;
  • Route2
    • p-(Methoxycarbonyl)benzyl bromide|CS-W008845
      2417-72-3
    • null|null
      19158-51-1
    • ~%
    • In-stock
      Methyl 3-cyano-4-methylbenzoate|CS-0188817
      35066-32-1

    References

    • Skerlj, Renato; Bridger, Gary; McEachern, Ernie; Harwig, Curtis; Smith, Chris; Wilson, Trevor; Veale, Duane; Yee, Helen; Crawford, Jason; Skupinska, Krystyna; Wauthy, Rossana; Yang, Wen; Zhu, Yongbao; Bogucki, David; Di Fluri, Maria; Langille, Jonathon; Huskens, Dana; De Clercq, Erik; Schols, Dominique Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 262 - 266
  • Route3

    References

    • Keller-Schierlein,W. et al. Helvetica Chimica Acta, 1972 , vol. 55, # 1 p. 198 - 205

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.6533
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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