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

  • CAS No. 887234-98-2

  • Cat. No. CS-0177750
  • Molecule weight276.14
  • Purity≥95%
  • MDL No.None

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

Methyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0177750

Structure of 887234-98-2

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General Information

  • CAS No. 887234-98-2
  • Cat. No. CS-0177750
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁BO₄
  • Molecular Weight 276.14
  • Synonym(s) METHYL 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE(WX192378)
  • SMILES O=C(OC)C1=CC=CC(C)=C1B2OC(C)(C)C(C)(C)O2

Synthesis

  • Route1

    References

    • MERCK FROSST CANADA LTD.; CHEN, Austin; ASPIOTIS, Renee; MCKAY, Daniel; HAN, Yongxin; FOURNIER, Pierre-Andre Patent: WO2011/57382 A1, 2011 ; Location in patent: Page/Page column 35; 36 ; WO 2011/057382 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   2.08082
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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