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CS-W001157 4
Total: USD 88.00

2,2-Dimethylbenzofuran-3(2H)-one

  • CAS No. 16748-90-6

  • Cat. No. CS-0464195
  • Purity≥98%
  • MDL No.MFCD20040044

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

2,2-Dimethylbenzofuran-3(2H)-one|CS-0464195

Structure of 16748-90-6

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General Information

  • CAS No. 16748-90-6
  • Cat. No. CS-0464195
  • Purity ≥98%
  • MDL No. MFCD20040044
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 2,2-dimethyl-3(2H)-benzofuranone
  • SMILES CC1(C)C(=O)C2=CC=CC=C2O1

Synthesis

  • Route1

    References

    • NOVARTIS AG Patent: WO2008/76336 A2, 2008 ; Location in patent: Page/Page column 85-86 ; WO 2008/076336 A2
  • Route2
    • null|null
      6640-69-3
    • ~5%
    • 3,3-Dimethylbenzofuran-2(3H)-one|CS-0437175
      13524-76-0
    • 2,2-Dimethylbenzofuran-3(2H)-one|CS-0464195
      16748-90-6

    References

    • Miyake, Hideyoshi; Nishimura, Akinori; Yago, Misato; Sasaki, Mitsuru Chemistry Letters, 2007 , vol. 36, # 2 p. 332 - 333
  • Route3

    References

    • Rao, Yu Synlett, 2013 , vol. 24, # 19 p. 2472 - 2476

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0403
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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