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CS-W001157 4
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7-Ethynyl-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one

  • CAS No. 166978-48-9

  • Cat. No. CS-0093969
  • Purity≥97%
  • MDL No.None

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

7-Ethynyl-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0093969

Structure of 166978-48-9

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General Information

  • CAS No. 166978-48-9
  • Cat. No. CS-0093969
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄O
  • Molecular Weight 198.26
  • Synonym(s) 4,4-Dimethyl-7-ethynyl-1-tetralone
  • SMILES O=C1CCC(C)(C)C2=C1C=C(C#C)C=C2

Synthesis

  • Route1
    • null|null
      166978-47-8
    • ~%
    • In-stock
      7-Ethynyl-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0093969
      166978-48-9

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 24 p. 4764 - 4767
  • Route2

    References

    • US5489584 A1, ;
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 9, # 4 p. 573 - 576

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.922
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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