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CS-W001157 4
Total: USD 88.00

Methyl 4-boronobenzoate

  • CAS No. 99768-12-4

  • Cat. No. CS-W003977
  • Purity≥96%
  • MDL No.MFCD01632203

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

Methyl 4-boronobenzoate|CS-W003977

Structure of 99768-12-4

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General Information

  • CAS No. 99768-12-4
  • Cat. No. CS-W003977
  • Purity ≥96%
  • MDL No. MFCD01632203
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BO₄
  • Molecular Weight None
  • Synonym(s) 4-Methoxycarbonylbenzeneboronic acid
  • SMILES O=C(OC)C1=CC=C(C=C1)B(O)O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-Boronobenzoic acid|CS-W019665
      14047-29-1
    • ~92%
    • In-stock
      Methyl 4-boronobenzoate|CS-W003977
      99768-12-4

    References

    • ACTELION PHARMACEUTICALS LTD. Patent: US2008/76762 A1, 2008 ; Location in patent: Page/Page column 44-45 ; US 20080076762 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      4-Tolylboronic acid|CS-W009284
      5720-05-8
    • ~58%
    • In-stock
      Methyl 4-boronobenzoate|CS-W003977
      99768-12-4

    References

    • Rosen, Brad M.; Wilson, Daniela A.; Wilson, Christopher J.; Peterca, Mihai; Won, Betty C.; Huang, Chenghong; Lipski, Linda R.; Zeng, Xiangbing; Ungar, Goran; Heiney, Paul A.; Percec, Virgil Journal of the American Chemical Society, 2009 , vol. 131, # 47 p. 17500 - 17521
  • Route3

    References

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

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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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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