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CS-W001157 4
Total: USD 88.00

4,4-Dimethyltetrahydrofuran-2-one

  • CAS No. 13861-97-7

  • Cat. No. CS-0309995
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethyltetrahydrofuran-2-one|CS-0309995

Structure of 13861-97-7

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General Information

  • CAS No. 13861-97-7
  • Cat. No. CS-0309995
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₂
  • Molecular Weight 114.14
  • Synonym(s) Dihydro-4,4-dimethyl-2(3H)-furanone
  • SMILES O=C1CC(C)(C)CO1

Synthesis

  • Route1
    • null|null
      6921-35-3
    • null|null
      201230-82-2
    • ~63%
    • 4,4-Dimethyltetrahydrofuran-2-one|CS-0309995
      13861-97-7

    References

    • Wang, Ming-De; Calet, Serge; Alper, Howard Journal of Organic Chemistry, 1989 , vol. 54, # 1 p. 20 - 21
  • Route2
    • 4-Hydroxy-3,3-dimethylbutanenitrile|CS-0440316
      103804-80-4
    • ~85%
    • 4,4-Dimethyltetrahydrofuran-2-one|CS-0309995
      13861-97-7

    References

    • Sund, Christian; Belda, Oscar; Borkakoti, Neera; Lindberg, Jimmy; Derbyshire, Dean; Vrang, Lotta; Hamelink, Elizabeth; Hgren, Cathrine; Woestenenk, Esmeralda; Wikstroem, Kristina; Eneroth, Anders; Lindstroem, Erik; Kalayanov, Genadiy Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 21 p. 6721 - 6727,7
  • Route3

    References

    • Hoffmann-La Roche Inc. Patent: US4596879 A1, 1986 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H225
Precautionary Statements : P210-P243-P273-P403

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.9595
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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