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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3h)-one

  • CAS No. 1254319-58-8

  • Cat. No. CS-0176621
  • Purity≥97%
  • MDL No.None

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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3h)-one|CS-0176621

Structure of 1254319-58-8

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General Information

  • CAS No. 1254319-58-8
  • Cat. No. CS-0176621
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BNO₄
  • Molecular Weight 261.08
  • Synonym(s) 2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic acid pinacol ester
  • SMILES O=C1OC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2N1

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; FORD, Rhonan; METE, Antonio; MATHER, Andrew; MILLICHIP, Ian Patent: WO2010/128324 A1, 2010 ; Location in patent: Page/Page column 127 ; WO 2010/128324 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-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   64.46
  • LogP   1.4203
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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