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

  • CAS No. 757982-31-3

  • Cat. No. CS-0101280
  • Purity≥97%
  • MDL No.MFCD12923177

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

Methyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0101280

Structure of 757982-31-3

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General Information

  • CAS No. 757982-31-3
  • Cat. No. CS-0101280
  • Purity ≥97%
  • MDL No. MFCD12923177
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BFO₄
  • Molecular Weight 280.10
  • Synonym(s) Benzoic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • SMILES O=C(OC)C1=CC=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2004/78733 A1, 2004 ; Location in patent: Page 437 ; WO 2004/078733 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-P330-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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