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1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

  • CAS No. 17610-21-8

  • Cat. No. CS-0313053
  • Purity95+%
  • MDL No.MFCD00052727

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

1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|CS-0313053

Structure of 17610-21-8

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General Information

  • CAS No. 17610-21-8
  • Cat. No. CS-0313053
  • Purity 95+%
  • MDL No. MFCD00052727
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂O
  • Molecular Weight 230.35
  • Synonym(s) 1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
  • SMILES CC(=O)C1=CC2=C(C=C1)C(C)(C)CCC2(C)C

Synthesis

  • Route1

    References

    • WISCONSIN ALUMNI RESEARCH FOUNDATION Patent: WO2007/5568 A1, 2007 ; Location in patent: Page/Page column 10 ; WO 2007/005568 A1
  • Route2

    References

    • Tsang, Kwok Yin; Sinha, Santosh; Liu, Xiaoxia; Bhat, Smita; Chandraratna, Roshantha A. Patent: US2005/148590 A1, 2005 ; Location in patent: Page/Page column 12; 13 ;
  • Route3

    References

    • Selen Gurkan-Alp; Mumcuoglu, Mine; Andac, Cenk A.; Dayanc, Emre; Cetin-Atalay, Rengul; Buyukbingol, Erdem European Journal of Medicinal Chemistry, 2012 , vol. 58, p. 346 - 354

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.2382
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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