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CS-W001157 4
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5-Tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

  • CAS No. 832684-43-2

  • Cat. No. CS-0262785
  • Purity95+%
  • MDL No.None

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

5-Tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid|CS-0262785

Structure of 832684-43-2

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General Information

  • CAS No. 832684-43-2
  • Cat. No. CS-0262785
  • Purity 95+%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₃
  • Molecular Weight 223.27
  • Synonym(s) 5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-BENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
  • SMILES CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)O

Synthesis

  • Route1
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    • ~%
    • In-stock
      5-Tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid|CS-0262785
      832684-43-2

    References

    • Velaparthi, Subash; Brunsteiner, Michael; Uddin, Reaz; Wan, Baojie; Franzblau, Scott G.; Petukhov, Pavel A. Journal of Medicinal Chemistry, 2008 , vol. 51, # 7 p. 1999 - 2002

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   63.33
  • LogP   2.5238
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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