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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 13524-76-0

  • Cat. No. CS-0437175
  • Purity≥98%
  • MDL No.None

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

3,3-Dimethylbenzofuran-2(3H)-one|CS-0437175

Structure of 13524-76-0

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General Information

  • CAS No. 13524-76-0
  • Cat. No. CS-0437175
  • Purity ≥98%
  • MDL No. None
  • 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(3H)-Benzofuranone, 3,3-dimethyl-
  • SMILES O=C1OC2=CC=CC=C2C1(C)C

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~65%
    • 3,3-Dimethylbenzofuran-2(3H)-one|CS-0437175
      13524-76-0

    References

    • Agouron Pharmaceuticals, Inc. Patent: US2005/176701 A1, 2005 ; Location in patent: Page/Page column 43 ; US 20050176701 A1
  • Route2

    References

    • Hillery, Paul S.; Cohen, Louis A. Journal of Organic Chemistry, 1983 , vol. 48, # 20 p. 3465 - 3471
  • Route3

    References

    • Cheng, Xiu-Fen; Li, Yan; Su, Yi-Ming; Yin, Feng; Wang, Jian-Yong; Sheng, Jie; Vora, Harit U.; Wang, Xi-Sheng; Yu, Jin-Quan Journal of the American Chemical Society, 2013 , vol. 135, # 4 p. 1236 - 1239

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.8832
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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