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CS-W001157 4
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(2-((Diisopropylamino)methyl)phenyl)boronic acid

  • CAS No. 95753-26-7

  • Cat. No. CS-0175438
  • Purity≥98%
  • MDL No.None

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

(2-((Diisopropylamino)methyl)phenyl)boronic acid|CS-0175438

Structure of 95753-26-7

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General Information

  • CAS No. 95753-26-7
  • Cat. No. CS-0175438
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₂BNO₂
  • Molecular Weight 235.13
  • Synonym(s) 2-[(N,N-diisopropylamino)methyl]phenylboronic acid
  • SMILES CC(N(C(C)C)CC1=CC=CC=C1B(O)O)C

Synthesis

  • Route1

    References

    • UNIVERSITY OF DURHAM Patent: WO2004/113351 A2, 2004 ; Location in patent: Page 39 ;
  • Route2
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    • ~%
    • (2-((Diisopropylamino)methyl)phenyl)boronic acid|CS-0175438
      95753-26-7

    References

    • Coghlan, Samuel W.; Giles, Richard L.; Howard, Judith A.K.; Patrick, Leonard G.F.; Probert, Michael R.; Smith, Gillian E.; Whiting, Andrew Journal of Organometallic Chemistry, 2005 , vol. 690, # 21-22 p. 4784 - 4793
  • Route3

    References

    • Coghlan, Samuel W.; Giles, Richard L.; Howard, Judith A.K.; Patrick, Leonard G.F.; Probert, Michael R.; Smith, Gillian E.; Whiting, Andrew Journal of Organometallic Chemistry, 2005 , vol. 690, # 21-22 p. 4784 - 4793

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   43.7
  • LogP   0.9852
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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