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CS-W001157 4
Total: USD 88.00

5-(Tert-butyl)-2-hydroxy-3-(hydroxymethyl)benzaldehyde

  • CAS No. 39117-96-9

  • Cat. No. CS-0570450
  • Molecule weight208.25
  • Purity≥98%
  • MDL No.None

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

5-(Tert-butyl)-2-hydroxy-3-(hydroxymethyl)benzaldehyde|CS-0570450

Structure of 39117-96-9

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General Information

  • CAS No. 39117-96-9
  • Cat. No. CS-0570450
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) 5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde
  • SMILES CC(C)(C)C1=CC(=C(C(=C1)C=O)O)CO

Synthesis

  • Route1
    • null|null
      367965-69-3
    • ~88%
    • 5-(Tert-butyl)-2-hydroxy-3-(hydroxymethyl)benzaldehyde|CS-0570450
      39117-96-9

    References

    • Gisch, Nicolas; Balzarini, Jan; Meier, Chris Journal of Medicinal Chemistry, 2008 , vol. 51, # 21 p. 6752 - 6760
  • Route2

    References

    • Amato, Maria E.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sciotto, Domenico; Tomaselli, Gaetano A.; Toscano, Rosa Maria Tetrahedron, 2007 , vol. 63, # 39 p. 9751 - 9757
  • Route3
    • (5-(Tert-butyl)-2-hydroxy-1,3-phenylene)dimethanol|CS-0166588
      2203-14-7
    • ~30%
    • 5-(Tert-butyl)-2-hydroxy-3-(hydroxymethyl)benzaldehyde|CS-0570450
      39117-96-9

    References

    • Joseph, Roymon; Chinta, Jugun Prakash; Rao, Chebrolu P. Journal of Organic Chemistry, 2010 , vol. 75, # 10 p. 3387 - 3395

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.9945
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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