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1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

  • CAS No. 874291-00-6

  • Cat. No. CS-0007814
  • Molecule weight290.17
  • Purity≥95%
  • MDL No.MFCD08689523

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

1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea|CS-0007814

Structure of 874291-00-6

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General Information

  • CAS No. 874291-00-6
  • Cat. No. CS-0007814
  • Purity ≥95%
  • MDL No. MFCD08689523
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₃BN₂O₃
  • Molecular Weight 290.17
  • Synonym(s) 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
  • SMILES O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NCC

Synthesis

  • Route1

    References

    • TYROGENEX, INC.; LIANG, Congxin; LI, Zhigang Patent: WO2010/56320 A2, 2010 ; Location in patent: Page/Page column 68 ; WO 2010/056320 A2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   59.59
  • LogP   2.1272
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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