843640-83-5

Upstream product

• 99-91-2 para-chloroacetophenone 
• 83392-36-3 methyl 3-(4-chlorophenyl)-3-oxopropanedithioate 
• 623-33-6 glycine ethyl ester hydrochloride 

Downstream Products

• 843640-86-8 ethyl 2-{[(E)-3-(4-chlorophenyl)-1-(methylsulfanyl)-3-oxo-1-propenyl]amino}acetate 
• 1228006-72-1 ethyl 2-{2-[(Z)-(4-chlorophenyl)(oxo)ethylidene]-4-(methylphenyl)-1,3-thiazol-3-yl}acetate 
• 1228006-73-2 ethyl 2-{2-[(Z)-(4-chlorophenyl)(oxo)ethylidene]-4-phenyl-1,3-thiazol-3-yl}acetate 

Relevant academic research and scientific papers

Crystal structure, FT-IR, FT-Raman, 1H NMR and computational study of ethyl 2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate

The molecular structure of a thioamide derivative ethyl 2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate was determined by X-ray diffraction. The proton NMR (1H NMR), Fourier Transform Infra-Red (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of the compound were recorded and analyzed. The conjugated enol form of the compound was crystallized in the monoclinic space group P21/c, with unit cell dimensions a = 12.514(2) ?, b = 5.403(5) ?, c = 21.233(3) ?, β = 94.597(4)°. The structure was solved by direct methods and refined to the R value of 0.0462. The thioamide moiety in the compound adopts the Z-conformation and the CN bond shows a high rotational barrier. The geometry in the gas phase was optimized by B3LYP and RHF quantum mechanical calculations using Gaussian 09 programme and the vibrational frequencies were calculated. The experimental and theoretical data are in good agreement.

An efficient synthesis of highly substituted pyrroles from β-oxodithiocarboxylates

α-Oxoketene-N,S-acetals, prepared by the reaction of alkyl glycinate hydrochlorides with β-oxodithiocarboxylates followed by alkylation, underwent cyclization in presence of chloromethyleneiminium salt derived from POCl3/DMF to afford alkyl-3-a

Cyclization of functionalized ketene-N,S-acetals to substituted pyrroles: Applications in the synthesis of marine pyrrole alkaloids

α-Oxoketene-N,S-acetals, prepared by the reaction of alkyl glycinates with β-oxodithiocarboxylates followed by alkylation, underwent cyclization in the presence of the Vilsmeier reagent to afford alkyl 3-aryl-4-formyl-5- (alkylsulfanyl)-1H-pyrrole-2-carbo