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CS-W001157 4
Total: USD 88.00

Ethyl 4-(4-chlorophenyl)-4-oxobutanoate

  • CAS No. 53503-49-4

  • Cat. No. CS-0453364
  • Molecule weight240.68
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-(4-chlorophenyl)-4-oxobutanoate|CS-0453364

Structure of 53503-49-4

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General Information

  • CAS No. 53503-49-4
  • Cat. No. CS-0453364
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃ClO₃
  • Molecular Weight 240.68
  • Synonym(s) None
  • SMILES CCOC(=O)CCC(=O)C1=CC=C(C=C1)Cl

Synthesis

  • Route1

    References

    • ARES TRADING S.A.; WHITTAKER, Ben; STEELE, Chris; HARDICK, David; MITCHELL, Dale; POMEL, Vincent; QUATTROPANI, Anna; BEHER, Dirk Patent: WO2014/12614 A1, 2014 ; Location in patent: Page/Page column 32; 33 ;
  • Route2
    • null|null
      117726-73-5
    • null|null
      122-01-0
    • ~84%
    • Ethyl 4-(4-chlorophenyl)-4-oxobutanoate|CS-0453364
      53503-49-4

    References

    • Fujimura, Tsutomu; Aoki, Satoshi; Nakamura, Eiichi Journal of Organic Chemistry, 1991 , vol. 56, # 8 p. 2809 - 2821
  • Route3
    • null|null
      174869-05-7
    • ~96%
    • Ethyl 4-(4-chlorophenyl)-4-oxobutanoate|CS-0453364
      53503-49-4

    References

    • Miyashita, Akira; Suzuki, Yumiko; Okumura, Yoko; Iwamoto, Ken-Ichi; Higashino, Takeo Chemical and Pharmaceutical Bulletin, 1998 , vol. 46, # 1 p. 6 - 11

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.866
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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