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CS-W001157 4
Total: USD 88.00

Methyl 3-boronobenzoate

  • CAS No. 99769-19-4

  • Cat. No. CS-W004091
  • Molecule weight179.97
  • Purity≥95%
  • MDL No.MFCD02093046

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

Methyl 3-boronobenzoate|CS-W004091

Structure of 99769-19-4

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General Information

  • CAS No. 99769-19-4
  • Cat. No. CS-W004091
  • Purity ≥95%
  • MDL No. MFCD02093046
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BO₄
  • Molecular Weight 179.97
  • Synonym(s) 3-(Methoxycarbonyl)phenylboronic acid
  • SMILES OB(C1=CC=CC(C(OC)=O)=C1)O

Description

Reactant involved in:Suzuki-Miyaura cross-couplingIterative cross-coupling of boronate building blocksCross-coupling with aryl / alkenyl sulfonatesSynthesis of symmetrical biaryls via CuCl catalyzed homocouplingTrifluoromethylationCyanation

Synthesis

  • Route1

    References

    • Wang, Xiao-Jun; Sun, Xiufeng; Zhang, Li; Xu, Yibo; Krishnamurthy, Dhileepkumar; Senanayake, Chris H. Organic Letters, 2006 , vol. 8, # 2 p. 305 - 307
  • Route2

    References

    • Organic Letters, , vol. 14, # 18 p. 4814 - 4817,4
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 134, # 28 p. 11667 - 11673

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   -0.847
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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