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CS-W001157 4
Total: USD 88.00

3-Methoxyisobenzofuran-1(3H)-one

  • CAS No. 4122-57-0

  • Cat. No. CS-0186840
  • Purity≥98%
  • MDL No.None

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

3-Methoxyisobenzofuran-1(3H)-one|CS-0186840

Structure of 4122-57-0

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General Information

  • CAS No. 4122-57-0
  • Cat. No. CS-0186840
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) 3-Methoxyphthalide
  • SMILES COC1C2=CC=CC=C2C(=O)O1

Synthesis

  • Route1
    • null|null
      67-56-1
    • ~77%
    • 3-Methoxyisobenzofuran-1(3H)-one|CS-0186840
      4122-57-0

    References

    • Boate; Johnston; Kwong; Lee-Ruff; Scaiano Journal of the American Chemical Society, 1990 , vol. 112, # 24 p. 8858 - 8863
  • Route2
    • null|null
      67-56-1
    • Phthalaldehydic acid Butylphthalide  Impurity|CS-0228924
      119-67-5
    • ~99%
    • 3-Methoxyisobenzofuran-1(3H)-one|CS-0186840
      4122-57-0

    References

    • Qu, Hemi; Chi, Chunyan Organic Letters, 2010 , vol. 12, # 15 p. 3360 - 3363
  • Route3
    • In-stock
      Methyl 2-formylbenzoate|CS-W004677
      4122-56-9
    • null|null
      557-20-0
    • ~20%
    • 3-Methoxyisobenzofuran-1(3H)-one|CS-0186840
      4122-57-0
    • null|null
      137333-67-6

    References

    • Ren, Jie; Jiang, Ju-Xing; Li, Ang-Bo; Liao, Tou-Geng; Tian, Ren-Rong; Chen, Xu-Lin; Jiang, Si-Ping; Pittman Jr., Charles U.; Zhu, Hua-Jie European Journal of Organic Chemistry, 2009 , # 23 p. 3987 - 3991

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.502
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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