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CS-W001157 4
Total: USD 88.00

2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile

  • CAS No. 1611-07-0

  • Cat. No. CS-0313276
  • Purity≥98%
  • MDL No.None

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

2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile|CS-0313276

Structure of 1611-07-0

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General Information

  • CAS No. 1611-07-0
  • Cat. No. CS-0313276
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃NO
  • Molecular Weight 245.36
  • Synonym(s) 3,5-Di-Tert-Butyl-4-Hydroxyphenylacetonitrile
  • SMILES CC(C)(C)C1=C(C(=CC(=C1)CC#N)C(C)(C)C)O

Synthesis

  • Route1
    • 4-(Bromomethyl)-2,6-di-tert-Butylphenol|CS-0658505
      2091-51-2
    • null|null
      151-50-8
    • ~87%
    • 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile|CS-0313276
      1611-07-0

    References

    • Kang, Tae-Souk; Jo, Hyang-Ok; Park, Woo-Kyu; Kim, Jong-Pyung; Konishi, Yasuo; Kong, Jae-Yang; Park, No-Sang; Jung, Young-Sik Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 5 p. 1663 - 1667
  • Route2

    References

    • US4487722 A1, ;
  • Route3

    References

    • Tetrahedron, , vol. 24, p. 103 - 115

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

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   4.05328
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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