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CS-W001157 4
Total: USD 88.00

4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid

  • CAS No. 374927-12-5

  • Cat. No. CS-0042331
  • Purity95+%
  • MDL No.MFCD18827143

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

4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid|CS-0042331

Structure of 374927-12-5

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General Information

  • CAS No. 374927-12-5
  • Cat. No. CS-0042331
  • Purity 95+%
  • MDL No. MFCD18827143
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇BN₂O₃
  • Molecular Weight 248.09
  • Synonym(s) Boronic acid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- (9CI)
  • SMILES OB(C1=CC=C(C(N2CCN(C)CC2)=O)C=C1)O

Synthesis

  • Route1

    References

    • Universita Degli Studi Di Milano - Bicocca; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD - LYON 1 Patent: EP2107054 A1, 2009 ; Location in patent: Page/Page column 27-28 ;
  • Route2

    References

    • Berg, Stefan; Bergh, Margareta; Hellberg, Sven; Hoegdin, Katharina; Lo-Alfredsson, Yvonne; Soederman, Peter; Von Berg, Stefan; Weigelt, Tatjana; Ormoe, Mats; Xue, Yafeng; Tucker, Julie; Neelissen, Jan; Jerning, Eva; Nilsson, Yvonne; Bhat, Ratan Journal of Medicinal Chemistry, 2012 , vol. 55, # 21 p. 9107 - 9119,13
  • Route3
    • 1-(4-Bromobenzoyl)-4-methylpiperazine|CS-0193341
      349395-87-5
    • ~%
    • 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid|CS-0042331
      374927-12-5

    References

    • Berg, Stefan; Bergh, Margareta; Hellberg, Sven; Hoegdin, Katharina; Lo-Alfredsson, Yvonne; Soederman, Peter; Von Berg, Stefan; Weigelt, Tatjana; Ormoe, Mats; Xue, Yafeng; Tucker, Julie; Neelissen, Jan; Jerning, Eva; Nilsson, Yvonne; Bhat, Ratan Journal of Medicinal Chemistry, 2012 , vol. 55, # 21 p. 9107 - 9119,13

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   64.01
  • LogP   -1.246
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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