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CS-W001157 4
Total: USD 88.00

(3-(4-Methylpiperazin-1-yl)phenyl)boronic acid

  • CAS No. 1139717-76-2

  • Cat. No. CS-0176084
  • Purity≥98%
  • MDL No.None

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

(3-(4-Methylpiperazin-1-yl)phenyl)boronic acid|CS-0176084

Structure of 1139717-76-2

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General Information

  • CAS No. 1139717-76-2
  • Cat. No. CS-0176084
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇BN₂O₂
  • Molecular Weight 220.08
  • Synonym(s) Boronic acid, B-[3-(4-methyl-1-piperazinyl)phenyl]-
  • SMILES CN1CCN(C2=CC=CC(B(O)O)=C2)CC1

Synthesis

  • Route1

    References

    • SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ;
  • Route2

    References

    • SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ;
  • Route3
    • 1-(3-Bromophenyl)-4-methylpiperazine|CS-0061769
      747413-17-8
    • null|null
      5419-55-6
    • ~25%
    • (3-(4-Methylpiperazin-1-yl)phenyl)boronic acid|CS-0176084
      1139717-76-2

    References

    • SENEXIS LIMITED; HORWELL, David Christopher; SCOPES, David Ian Carter Patent: WO2011/144578 A1, 2011 ; Location in patent: Page/Page column 34 ;

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   46.94
  • LogP   -0.8818
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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