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CS-W001157 4
Total: USD 88.00

(3-Methoxy-5-methylphenyl)boronic acid

  • CAS No. 725251-81-0

  • Cat. No. CS-0175812
  • Molecule weight165.98
  • Purity≥98%
  • MDL No.None

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

(3-Methoxy-5-methylphenyl)boronic acid|CS-0175812

Structure of 725251-81-0

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General Information

  • CAS No. 725251-81-0
  • Cat. No. CS-0175812
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BO₃
  • Molecular Weight 165.98
  • Synonym(s) Boronic acid, (3-methoxy-5-methylphenyl)- (9CI)
  • SMILES CC1=CC(B(O)O)=CC(OC)=C1

Synthesis

  • Route1
    • null|null
      121-43-7
    • In-stock
      1-Bromo-3-methoxy-5-methylbenzene|CS-W007784
      29578-83-4
    • ~79%
    • In-stock
      (3-Methoxy-5-methylphenyl)boronic acid|CS-0175812
      725251-81-0

    References

    • SMITHKLINE BEECHAM CORPORATION; VITAE PHARMACEUTICALS, INC. Patent: WO2008/124575 A1, 2008 ; Location in patent: Page/Page column 128-139 ; WO 2008/124575 A1
  • Route2
    • null|null
      7647-01-0
    • null|null
      121-43-7
    • In-stock
      1-Bromo-3-methoxy-5-methylbenzene|CS-W007784
      29578-83-4
    • null|null
      7732-18-5
    • ~79%
    • In-stock
      (3-Methoxy-5-methylphenyl)boronic acid|CS-0175812
      725251-81-0

    References

    • SMITHKLINE BEECHAM CORPORATION; VITAE PHARMACEUTICALS, INC. Patent: WO2008/124582 A1, 2008 ; Location in patent: Page/Page column 118-119 ; WO 2008/124582 A1
  • Route3

    References

    • Trost, Barry M.; Pissot-Soldermann, Carole; Chen, Irwin Chemistry - A European Journal, 2005 , vol. 11, # 3 p. 951 - 959

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.69
  • LogP   -0.31658
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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