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CS-W001157 4
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Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 603122-79-8

  • Cat. No. CS-0054483
  • Purity≥97%
  • MDL No.None

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

Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0054483

Structure of 603122-79-8

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General Information

  • CAS No. 603122-79-8
  • Cat. No. CS-0054483
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BFO₄
  • Molecular Weight 280.10
  • Synonym(s) Methyl 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan
  • SMILES COC(=O)C1=CC(F)=C(C=C1)B1OC(C)(C)C(C)(C)O1

Synthesis

  • Route1

    References

    • US2011/144105 A1, ; Page/Page column 70 ;
  • Route2
    • null|null
      603122-83-4
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~%
    • In-stock
      Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0054483
      603122-79-8

    References

    • Journal of Medicinal Chemistry, , vol. 51, # 6 p. 1925 - 1944

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

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   1.9115
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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