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

  • CAS No. 944317-65-1

  • Cat. No. CS-0132864
  • Purity≥97%
  • MDL No.None

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

Methyl 2-(4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate|CS-0132864

Structure of 944317-65-1

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General Information

  • CAS No. 944317-65-1
  • Cat. No. CS-0132864
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃BO₅
  • Molecular Weight 306.16
  • Synonym(s) methyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
  • SMILES O=C(OC)CC1=CC=C(OC)C(B2OC(C)(C)C(C)(C)O2)=C1

Synthesis

  • Route1
    • Methyl 2-(3-iodo-4-methoxyphenyl)acetate|CS-1352079
      124840-58-0
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • ~%
    • In-stock
      Methyl 2-(4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate|CS-0132864
      944317-65-1

    References

    • MERCK and CO., INC. Patent: WO2007/81569 A2, 2007 ; Location in patent: Page/Page column 93 ;
  • Route2

    References

    • Ghosh, Samir; Kumar, A. Sanjeev; Mehta; Soundararajan Synthesis, 2009 , # 19 p. 3322 - 3326
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; LU, Zhijian; CHEN, Yi-Heng; SMITH, Cameron; LI, Hong; THOMPSON, Christopher, F.; SWEIS, Ramzi; SINCLAIR, Peter; KALLASHI, Florida; HUNT, Julianne; ADAMSON, Samantha, E.; DONG, Guizhen; ONDEYKA, Debra, L.; QIAN, Xiaoxia; SUN, Wanying; VACHAL, Petr; ZHAO, Kake Patent: WO2012/58187 A1, 2012 ; WO 2012/058187 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   53.99
  • LogP   1.7099
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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