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CS-W001157 4
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3-Methyl-1-phenyl-1H-pyrazole

  • CAS No. 1128-54-7

  • Cat. No. CS-0152729
  • Purity≥95%
  • MDL No.MFCD00003123

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

3-Methyl-1-phenyl-1H-pyrazole|CS-0152729

Structure of 1128-54-7

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General Information

  • CAS No. 1128-54-7
  • Cat. No. CS-0152729
  • Purity ≥95%
  • MDL No. MFCD00003123
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight 158.20
  • Synonym(s) NSC 163372
  • SMILES CC1=NN(C=C1)C2=CC=CC=C2

Description

Propargyl-PEG9-bromide consists of a propargyl group and a bromide group. The propargyl group reacts with azide compounds in copper catalyzed Click Chemistry reactions. The bromide (Br)can be used as a leaving group for nucleophilic substitution reactions. The 9-unit PEG spacer improves the hydrophilicity of the molecule.

Synthesis

  • Route1

    References

    • Teo, Yong-Chua; Yong, Fui-Fong; Poh, Chai-Yun; Yan, Yaw-Kai; Chua, Guan-Leong Chemical Communications, 2009 , # 41 p. 6258 - 6260
  • Route2

    References

    • Almirall, S.A.; Erra Sola, Montserrat; Aguilar Izquierdo, Nuria; Carrascal Riera, Marta; Taboada Martinez, Lorena; Navarro Romero, Eloisa; Vidal Juan, Bernat Patent: EP2390252 A1, 2011 ; Location in patent: Paragraph 0391; 0392 ; EP 2390252 A1
  • Route3
    • 3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0309194
      21487-48-9
    • ~66%
    • In-stock
      3-Methyl-1-phenyl-1H-pyrazole|CS-0152729
      1128-54-7

    References

    • Modak, Atanu; Deb, Arghya; Patra, Tuhin; Rana, Sujoy; Maity, Soham; Maiti, Debabrata Chemical Communications, 2012 , vol. 48, # 35 p. 4253 - 4255

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.18072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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