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CS-W001157 4
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Ethyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate

  • CAS No. 528830-98-0

  • Cat. No. CS-0122114
  • Purity≥98%
  • MDL No.MFCD03424824

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

Ethyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate|CS-0122114

Structure of 528830-98-0

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General Information

  • CAS No. 528830-98-0
  • Cat. No. CS-0122114
  • Purity ≥98%
  • MDL No. MFCD03424824
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₅
  • Molecular Weight 252.26
  • Synonym(s) Benzenepropanoic acid, 2,3-dimethoxy-β-oxo-, ethyl ester
  • SMILES O=C(OCC)CC(C1=CC=CC(OC)=C1OC)=O

Synthesis

  • Route1

    References

    • Cao, Sheldon X.; Feng, Jun; Imaeda, Yasuhiro; Gwaltney, Stephen L.; Hosfield, David J.; Takakura, Nobuyuki; Tang, Mingnam Patent: US2007/197532 A1, 2007 ; Location in patent: Page/Page column 50 ;
  • Route2

    References

    • Mauthner Journal fuer Praktische Chemie (Leipzig), 1926 , vol. <2> 112, p. 63
  • Route3
    • Methyl 2,3-dimethoxybenzoate|CS-0204651
      2150-42-7
    • null|null
      141-78-6
    • ~%
    • Ethyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate|CS-0122114
      528830-98-0

    References

    • Mauthner Journal fuer Praktische Chemie (Leipzig), 1926 , vol. <2> 112, p. 63

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   1.8397
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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