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CS-W001157 4
Total: USD 88.00

5-Methyl-3-(p-tolyl)-1H-pyrazole

  • CAS No. 90861-52-2

  • Cat. No. CS-0461770
  • Purity≥98%
  • MDL No.MFCD03934058

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

5-Methyl-3-(p-tolyl)-1H-pyrazole|CS-0461770

Structure of 90861-52-2

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General Information

  • CAS No. 90861-52-2
  • Cat. No. CS-0461770
  • Purity ≥98%
  • MDL No. MFCD03934058
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂
  • Molecular Weight 172.23
  • Synonym(s) 3-Methyl-5-p-tolyl-1h-pyrazole
  • SMILES CC1=CC=C(C=C1)C2=NNC(=C2)C

Synthesis

  • Route1
    • (E)-4-(p-Tolyl)but-3-en-2-one|CS-0274625
      4023-84-1
    • ~89%
    • 5-Methyl-3-(p-tolyl)-1H-pyrazole|CS-0461770
      90861-52-2

    References

    • Wen, Jun; Fu, Yun; Zhang, Ruo-Yi; Zhang, Ji; Chen, Shan-Yong; Yu, Xiao-Qi Tetrahedron, 2011 , vol. 67, # 49 p. 9618 - 9621
  • Route2
    • null|null
      90861-41-9
    • ~76%
    • 5-Methyl-3-(p-tolyl)-1H-pyrazole|CS-0461770
      90861-52-2

    References

    • Barluenga, Jose; Muniz, Laudina; Iglesias, M%a& Jose; Gotor, Vicente Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 4 p. 611 - 614
  • Route3
    • null|null
      131474-81-2
    • ~40%
    • 5-Methyl-3-(p-tolyl)-1H-pyrazole|CS-0461770
      90861-52-2

    References

    • Valduga, Claudete J.; Braibante, Hugo S.; Braibante, Mara E.F. Journal of Heterocyclic Chemistry, 1998 , vol. 35, # 1 p. 189 - 192

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.69354
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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