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CS-W001157 4
Total: USD 88.00

3-Isopropylisobenzofuran-1(3H)-one

  • CAS No. 64002-57-9

  • Cat. No. CS-0571407
  • Purity≥98%
  • MDL No.None

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

3-Isopropylisobenzofuran-1(3H)-one|CS-0571407

Structure of 64002-57-9

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General Information

  • CAS No. 64002-57-9
  • Cat. No. CS-0571407
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) n-Butylphthalide-036
  • SMILES CC(C)C1C2=CC=CC=C2C(=O)O1

Synthesis

  • Route1
    • null|null
      78-84-2
    • null|null
      693232-15-4
    • ~77%
    • 3-Isopropylisobenzofuran-1(3H)-one|CS-0571407
      64002-57-9

    References

    • Ogawa, Yoshihiro; Saiga, Akihiro; Mori, Mitsuo; Shibata, Takanori; Takagi, Kentaro Journal of Organic Chemistry, 2000 , vol. 65, # 4 p. 1031 - 1036
  • Route2
    • null|null
      99291-16-4
    • ~85%
    • 3-Isopropylisobenzofuran-1(3H)-one|CS-0571407
      64002-57-9

    References

    • Canonne, P.; Akssira, M.; Kassou, M. Tetrahedron Letters, 1985 , vol. 26, # 39 p. 4719 - 4722
  • Route3
    • null|null
      85-44-9
    • ~%
    • 3-Isopropylisobenzofuran-1(3H)-one|CS-0571407
      64002-57-9

    References

    • Gucci Gazzetta Chimica Italiana, 1898 , vol. 28 II, p. 506

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   26.3
  • LogP   2.5541
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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