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

  • CAS No. 944317-66-2

  • Cat. No. CS-0041119
  • Molecule weight294.13
  • Purity≥97%
  • MDL No.MFCD12026092

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

Methyl 2-(4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate|CS-0041119

Structure of 944317-66-2

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General Information

  • CAS No. 944317-66-2
  • Cat. No. CS-0041119
  • Purity ≥97%
  • MDL No. MFCD12026092
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BFO₄
  • Molecular Weight 294.13
  • Synonym(s) 2-FLUORO-5-(METHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER
  • SMILES O=C(OC)CC1=CC=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2007/81569 A2, 2007 ; Location in patent: Page/Page column 94 ;

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   44.76
  • LogP   1.8404
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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