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Methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 1293284-61-3

  • Cat. No. CS-0097664
  • Purity≥95%
  • MDL No.MFCD16996307

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

Methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0097664

Structure of 1293284-61-3

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General Information

  • CAS No. 1293284-61-3
  • Cat. No. CS-0097664
  • Purity ≥95%
  • MDL No. MFCD16996307
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BFO₄
  • Molecular Weight 280.10
  • Synonym(s) 2-Fluoro-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
  • SMILES O=C(OC)C1=C(B2OC(C)(C)C(C)(C)O2)C=CC=C1F

Synthesis

  • Route1
    • null|null
      61676-62-8
    • In-stock
      Benzoic acid, 2-fluoro-6-iodo-, methyl ester|CS-0030469
      146014-66-6
    • ~76%
    • In-stock
      Methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0097664
      1293284-61-3

    References

    • JANSSEN PHARMACEUTICA NV; LETAVIC, Michael; RUDOLPH, Dale, A.; SAVALL, Brad, M.; SHIREMAN, Brock, T.; SWANSON, Devin Patent: WO2012/145581 A1, 2012 ; Location in patent: Page/Page column 53; 98 ; WO 2012/145581 A1
  • Route2

    References

    • JANSSEN PHARMACEUTICA NV; BRANSTETTER, Bryan, James; LETAVIC, Michael, A.; LY, Kiev, S.; RUDOLPH, Dale, A.; SAVALL, Brad, M.; SHAH, Chandravadan, R.; SHIREMAN, Brock, T. Patent: WO2011/50202 A1, 2011 ; WO 2011/050202 A1
  • Route3
    • null|null
      111771-12-1
    • ~%
    • In-stock
      Methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0097664
      1293284-61-3

    References

    • JANSSEN PHARMACEUTICA NV; BRANSTETTER, Bryan, James; LETAVIC, Michael, A.; LY, Kiev, S.; RUDOLPH, Dale, A.; SAVALL, Brad, M.; SHAH, Chandravadan, R.; SHIREMAN, Brock, T. Patent: WO2011/50202 A1, 2011 ; WO 2011/050202 A1

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

Quality Control

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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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