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CS-W001157 4
Total: USD 88.00

Ethyl 6-(3-chlorophenyl)-6-oxohexanoate

  • CAS No. 333355-35-4

  • Cat. No. CS-0581927
  • Purity≥98%
  • MDL No.None

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

Ethyl 6-(3-chlorophenyl)-6-oxohexanoate|CS-0581927

Structure of 333355-35-4

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General Information

  • CAS No. 333355-35-4
  • Cat. No. CS-0581927
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇ClO₃
  • Molecular Weight 268.74
  • Synonym(s) 5-chlorobenzoyl valeric acid,ethyl ester
  • SMILES CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)Cl

Synthesis

  • Route1
    • null|null
      28145-63-3
    • null|null
      109976-46-7
    • ~89%
    • Ethyl 6-(3-chlorophenyl)-6-oxohexanoate|CS-0581927
      333355-35-4

    References

    • Shimizu, Toshiaki; Seki, Masahiko Tetrahedron Letters, 2001 , vol. 42, # 3 p. 429 - 432
  • Route2

    References

    • Mori, Yoshikazu; Seki, Masahiko Journal of Organic Chemistry, 2003 , vol. 68, # 4 p. 1571 - 1574

Safety Information

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GHS Pictogram : 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   3.6462
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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