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CS-W001157 4
Total: USD 88.00

4-(Benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid

  • CAS No. 41764-07-2

  • Cat. No. CS-0548370
  • Purity≥98%
  • MDL No.None

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

4-(Benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid|CS-0548370

Structure of 41764-07-2

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General Information

  • CAS No. 41764-07-2
  • Cat. No. CS-0548370
  • 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) 4-(1,3-Benzodioxol-5-yl)-4-oxobutanoic acid
  • SMILES C1OC2=C(O1)C=C(C=C2)C(=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      70770-04-6
    • ~77%
    • 4-(Benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid|CS-0548370
      41764-07-2

    References

    • Daukshas, V. K.; Gaidyalis, P. G.; Udrenaite, E. B.; Labanauskas, L. K.; Gasperavichene, G. A.; et al. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 990 - 995 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1466 - 1470
  • Route2

    References

    • Chavan, Subhash P.; Garai, Sumanta; Dey, Chandan; Gonnade, Rajesh G. Tetrahedron Letters, 2013 , vol. 54, # 41 p. 5562 - 5566
  • Route3
    • null|null
      84707-83-5
    • ~%
    • 4-(Benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid|CS-0548370
      41764-07-2

    References

    • Daukshas, V. K.; Gaidyalis, P. G.; Udrenaite, E. B.; Labanauskas, L. K.; Gasperavichene, G. A.; et al. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 990 - 995 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1466 - 1470

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   72.83
  • LogP   1.4628
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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