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(2,3,6-Trimethoxyphenyl)boronic acid

  • CAS No. 380430-67-1

  • Cat. No. CS-0150632
  • Purity≥95%
  • MDL No.MFCD03411944

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

(2,3,6-Trimethoxyphenyl)boronic acid|CS-0150632

Structure of 380430-67-1

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General Information

  • CAS No. 380430-67-1
  • Cat. No. CS-0150632
  • Purity ≥95%
  • MDL No. MFCD03411944
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃BO₅
  • Molecular Weight 212.01
  • Synonym(s) 2,3,6-Trimethoxyphenylboronic acid
  • SMILES COC1=C(C(=C(C=C1)OC)OC)B(O)O

Synthesis

  • Route1

    References

    • Kym, Philip R.; Kort, Michael E.; Coghlan, Michael J.; Moore, Jimmie L.; Tang, Rui; Ratajczyk, James D.; Larson, Daniel P.; Elmore, Steven W.; Pratt, John K.; Stashko, Michael A.; Douglass Falls; Lin, Chun W.; Nakane, Masake; Miller, Loan; Tyree, Curtis M.; Miner, Jeffery N.; Jacobson, Peer B.; Wilcox, Denise M.; Nguyen, Phong; Lane, Benjamin C. Journal of Medicinal Chemistry, 2003 , vol. 46, # 6 p. 1016 - 1030
  • Route2

    References

    • Alves, Ana P. L.; Junior, Jose Augusto B. C.; Slana, Glaucia B. A.; Cardoso, Jari N.; Wang, Qiang; Lopes, Rosangela S. C.; Lopes, Claudio C. Synthetic Communications, 2009 , vol. 39, # 20 p. 3693 - 3709
  • Route3

    References

    • AMAZENTIS SA; RINSCH, Christopher, L.; BLANCO-BOSE, William; SCHNEIDER, Bernard; MOUCHIROUD, Laurent; RYU, Dongryeol; ANDREUX, Penelope; AUWERX, Johan Patent: WO2014/4902 A2, 2014 ; Location in patent: Sheet 29 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   68.15
  • LogP   -0.6078
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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