Computed Properties of C11H13ClO2On March 7, 2022, Calogero, Francesco; Potenti, Simone; Bassan, Elena; Fermi, Andrea; Gualandi, Andrea; Monaldi, Jacopo; Dereli, Busra; Maity, Bholanath; Cavallo, Luigi; Ceroni, Paola; Giorgio Cozzi, Pier published an article in Angewandte Chemie, International Edition. The article was 《Nickel-Mediated Enantioselective Photoredox Allylation of Aldehydes with Visible Light》. The article mentions the following:
Here a practical, highly enantioselective photoredox allylation of aldehydes mediated by chiral nickel complexes with com. available allyl acetate as the allylating agent was reported. The methodol. allowed the clean stereoselective allylation of aldehydes in good to excellent yields and up to 93% e.e. using a catalytic amount of NiCl2(glyme) in the presence of the chiral aminoindanol-derived bis(oxazoline) as the chiral ligand. The photoredox system was constituted by the organic dye 3DPAFIPN and a Hantzsch’s ester as the sacrificial reductant. The reaction proceeded under visible-light irradiation Compared to other published procedures, no metal reductants (such as Zn or Mn), additives (e.g. CuI) or air-sensitive Ni(COD)2 were necessary for this reaction. Accurate DFT calculations and photophys. experiments had clarified the mechanistic picture of this stereoselective allylation reaction. After reading the article, we found that the author used Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1Computed Properties of C11H13ClO2)
Ethyl 3-(4-chlorophenyl)propanoate(cas: 7116-36-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. Computed Properties of C11H13ClO2 The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics