404590-92-7

Upstream product

• 4619-20-9 3-(4-methylbenzoyl)propionic acid 
• 89-98-5 2-chloro-benzaldehyde 

Downstream Products

• 1387582-43-5 5-(2-chlorophenyl)-4-[2-oxo-2-(4-methylphenyl)ethyl]-2,5-dihydro-1H-pyrazole-1-carbothioamide 
• 1198395-20-8 6-amino-4-(2-chlorophenyl)-2-(4-methylphenyl)-4H-furo[2,3-b]pyran-5-carbonitrile 

Relevant academic research and scientific papers

Structure, z′ = 2 crystal packing features of 3-(2-chlorobenzylidene)-5-(p-tolyl)furan-2(3h)-one

3-(2-Chlorobenzylidene)-5-(p-tolyl)furan-2(3H)-one (1), C18H13ClO2, crystallizes with Z = 8 and Z′ = 2, and the structure at 100 K has orthorhombic (Pna21) symmetry. Each kind of molecule takes part in π–π stacking interactions to form infinite chains parallel to the c axis. We believe that the existence of two forms can be explained by the probable rotation around a single C–C bond. The quantum chemical modeling reveals that these molecules are almost equivalent energetically, and they can be described as the two most stable conformers (rotamers) with a minor rotational barrier of about 0.67 kcal/mol.