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CS-W001157 4
Total: USD 88.00

2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

  • CAS No. 1072960-82-7

  • Cat. No. CS-0468760
  • Molecule weight263.05
  • Purity≥98%
  • MDL No.None

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

2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|CS-0468760

Structure of 1072960-82-7

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General Information

  • CAS No. 1072960-82-7
  • Cat. No. CS-0468760
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄BNO₅
  • Molecular Weight 263.05
  • Synonym(s) 4-(Hydroxymethyl)phenylboronic acid MIDA ester
  • SMILES >>O=C(CN(C)C1)OB(OC1=O)C2=CC=C(CO)C=C2

Synthesis

  • Route1
    • null|null
      1072960-68-9
    • ~81%
    • 2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|CS-0468760
      1072960-82-7

    References

    • Gillis, Eric P.; Burke, Martin D. Journal of the American Chemical Society, 2008 , vol. 130, # 43 p. 14084 - 14085
  • Route2
    • null|null
      1072960-69-0
    • ~81%
    • 2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|CS-0468760
      1072960-82-7

    References

    • Gillis, Eric P.; Burke, Martin D. Journal of the American Chemical Society, 2008 , vol. 130, # 43 p. 14084 - 14085
  • Route3
    • 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde|CS-0509794
      1072960-66-7
    • ~63%
    • 2-(4-(Hydroxymethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|CS-0468760
      1072960-82-7

    References

    • Gillis, Eric P.; Burke, Martin D. Journal of the American Chemical Society, 2008 , vol. 130, # 43 p. 14084 - 14085

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   76.07
  • LogP   -1.0941
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   2

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