2, 4, 5- Trichloro- β- oxo-benzenepropanoic Acid Ethyl Ester - CAS 63131-33-9

Catalog: BB057004
Product Name: 2, 4, 5- Trichloro- β- oxo-benzenepropanoic Acid Ethyl Ester
CAS: 63131-33-9
Synonyms: Ethyl (2,4,5-trichlorobenzoyl)acetate
2, 4, 5- Trichloro- β- oxo-benzenepropanoic Acid Ethyl Ester
IUPAC Name:ethyl 3-oxo-3-(2,4,5-trichlorophenyl)propanoate
Description:2, 4, 5- Trichloro- β- oxo-benzenepropanoic Acid Ethyl Ester is an intermediate in synthesizing 6-Chloro-6-defluoro Ciprofloxacin (C368035). It is an impurity of Ciprofloxacin (C482500), which is a fluorinated quinolone antibacterial.
Molecular Weight:295.55
Molecular Formula:C11H9Cl3O3
Canonical SMILES:CCOC(=O)CC(=O)C1=CC(=C(C=C1Cl)Cl)Cl
InChI:InChI=1S/C11H9Cl3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3
InChI Key:WBFVKSWUTMVPDF-UHFFFAOYSA-N
Solubility:Acetic Anhydride; Dichloromethane; Ethyl Acetate; Methanol
Appearance:Orange Solid
References:Hoffken, G., et al. Antimicrob. Ag. Chemother., 27, 375 (1985), Scully, B.E., et al. Lancet, 1, 819 (1986).

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