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CS-W001157 4
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Ethyl 4-chlorophenylacethylacetate

  • CAS No. 62088-10-2

  • Cat. No. CS-0071601
  • Molecule weight240.68
  • Purity≥97%
  • MDL No.MFCD03844412

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

Ethyl 4-chlorophenylacethylacetate|CS-0071601

Structure of 62088-10-2

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General Information

  • CAS No. 62088-10-2
  • Cat. No. CS-0071601
  • Purity ≥97%
  • MDL No. MFCD03844412
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃ClO₃
  • Molecular Weight 240.68
  • Synonym(s) Ethyl 4-(4-chlorophenyl)-3-oxobutanoate
  • SMILES O=C(OCC)CC(CC1=CC=C(C=C1)Cl)=O

Synthesis

  • Route1

    References

    • TANABE SEIYAKU CO., LTD. Patent: WO2007/46550 A1, 2007 ; Location in patent: Page/Page column 110-111 ; WO 2007/046550 A1
  • Route2
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      64-17-5
    • null|null
      25026-34-0
    • ~47%
    • Ethyl 4-chlorophenylacethylacetate|CS-0071601
      62088-10-2

    References

    • Shionogi and Co., Ltd.; KAI, Hiroyuki; ENDOH, Takeshi; JIKIHARA, Sae; ASAHI, Kentaro; HORIGUCHI, Tohru Patent: EP2604260 A1, 2013 ; Location in patent: Paragraph 0269; 0270 ;
  • Route3

    References

    • Pfizer Inc. Patent: US2005/101592 A1, 2005 ; Location in patent: Page/Page column 29 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.4048
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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