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2-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)benzonitrile

  • CAS No. 930596-18-2

  • Cat. No. CS-0177432
  • Purity≥98%
  • MDL No.None

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

2-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)benzonitrile|CS-0177432

Structure of 930596-18-2

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General Information

  • CAS No. 930596-18-2
  • Cat. No. CS-0177432
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₀BN₃O₂
  • Molecular Weight 309.17
  • Synonym(s) 2-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-benzonitrile
  • SMILES N#CC1=CC=CC=C1CN2N=CC(B3OC(C)(C)C(C)(C)O3)=C2

Synthesis

  • Route1

    References

    • Schering Corporation Patent: US2007/82900 A1, 2007 ; Location in patent: Page/Page column 142 ; US 20070082900 A1

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

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Computational Chemistry Data

  • TPSA   60.07
  • LogP   2.10228
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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