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CS-W001157 4
Total: USD 88.00

(2-Methoxy-3-(trifluoromethyl)phenyl)boronic acid

  • CAS No. 1072946-62-3

  • Cat. No. CS-0176128
  • Purity≥98%
  • MDL No.None

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

(2-Methoxy-3-(trifluoromethyl)phenyl)boronic acid|CS-0176128

Structure of 1072946-62-3

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General Information

  • CAS No. 1072946-62-3
  • Cat. No. CS-0176128
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BF₃O₃
  • Molecular Weight 219.95
  • Synonym(s) 2-Methoxy-3-(trifluoromethyl)phenylboronic acid
  • SMILES COC1=C(C(F)(F)F)C=CC=C1B(O)O

Synthesis

  • Route1
    • 2-(Trifluoromethyl)anisole|CS-0194670
      395-48-2
    • ~%
    • (2-Methoxy-3-(trifluoromethyl)phenyl)boronic acid|CS-0176128
      1072946-62-3
    • 3-Methoxy-2-(trifluoromethyl)phenylboronic acid|CS-0805119
      1198181-64-4

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2295406 A1, 2011 ; Location in patent: Page/Page column 71 ;
  • Route2
    • null|null
      7647-01-0
    • null|null
      5419-55-6
    • 2-(Trifluoromethyl)anisole|CS-0194670
      395-48-2
    • null|null
      7732-18-5
    • ~%
    • (2-Methoxy-3-(trifluoromethyl)phenyl)boronic acid|CS-0176128
      1072946-62-3
    • 3-Methoxy-2-(trifluoromethyl)phenylboronic acid|CS-0805119
      1198181-64-4

    References

    • Kasai, Shizuo; Kamaura, Masahiro; Cho, Nobuo Patent: US2011/251187 A1, 2011 ; Location in patent: Page/Page column 51 ;

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   49.69
  • LogP   0.3938
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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