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CS-W001157 4
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Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate

  • CAS No. 54011-33-5

  • Cat. No. CS-0465791
  • Molecule weight222.19
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0465791

Structure of 54011-33-5

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General Information

  • CAS No. 54011-33-5
  • Cat. No. CS-0465791
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₅
  • Molecular Weight 222.19
  • Synonym(s) 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester
  • SMILES COC(=O)CC(=O)C1=CC2=C(C=C1)OCO2

Synthesis

  • Route1
    • null|null
      120-57-0
    • null|null
      6832-16-2
    • ~82%
    • Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0465791
      54011-33-5

    References

    • Pandey, Rajesh K.; Deshmukh, Anis N.; Kumar, Pradeep Synthetic Communications, 2004 , vol. 34, # 6 p. 1117 - 1123
  • Route2
    • null|null
      104548-23-4
    • ~38%
    • Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0465791
      54011-33-5

    References

    • Akhtar, M. Shamim; Seth, M.; Bhaduri, A. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, p. 71 - 72
  • Route3
    • 1-(Benzo[d][1,3]dioxol-5-yl)ethanone Paroxetine Impurity|CS-0213986
      3162-29-6
    • null|null
      616-38-6
    • ~%
    • Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0465791
      54011-33-5

    References

    • Jung, Michael E.; Lam, Patrick Yuk-Sun; Mansuri, Muzzamil M.; Speltz, Laurine M. Journal of Organic Chemistry, 1985 , vol. 50, # 7 p. 1087 - 1105

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   1.1611
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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