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CS-W001157 4
Total: USD 88.00

Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate

  • CAS No. 81581-27-3

  • Cat. No. CS-0041700
  • Molecule weight236.22
  • Purity≥97%
  • MDL No.MFCD01463468

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

Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0041700

Structure of 81581-27-3

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General Information

  • CAS No. 81581-27-3
  • Cat. No. CS-0041700
  • Purity ≥97%
  • MDL No. MFCD01463468
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) ETHYL 3-(BENZO[D][1,3]DIOXOL-6-YL)-3-OXOPROPANOATE
  • SMILES O=C(OCC)CC(C1=CC=C(OCO2)C2=C1)=O

Synthesis

  • Route1
    • null|null
      623-73-4
    • null|null
      120-57-0
    • ~80%
    • Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0041700
      81581-27-3

    References

    • Pandey, Rajesh K.; Deshmukh, Anis N.; Kumar, Pradeep Synthetic Communications, 2004 , vol. 34, # 6 p. 1117 - 1123
  • Route2
    • null|null
      34023-63-7
    • ~80%
    • Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0041700
      81581-27-3

    References

    • Kafle, Bhooshan; Aher, Nilkanth G.; Khadka, Deegendra; Park, Hwangseo; Cho, Hyeongjin Chemistry - An Asian Journal, 2011 , vol. 6, # 8 p. 2073 - 2079
  • Route3
    • null|null
      81581-26-2
    • ~69%
    • Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate|CS-0041700
      81581-27-3

    References

    • Pelter, Andrew; Ward, Robert S.; Watson, Derrick J.; Jack, Ibiba R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , p. 183 - 190

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

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   1.5512
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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