In 2022,Sun, Yue; Yang, Zi-Hui; Gu, Wen published an article in Chinese Journal of Structural Chemistry. The title of the article was 《Synthesis, crystal structure and antifungal activity of new furan-1,3,4-oxadiazole carboxamide derivatives》.Computed Properties of C3H3ClO3 The author mentioned the following in the article:
A series of novel furan-1,3,4-oxadiazole carboxamide derivatives I (R = H, Me, Br, Cl, F) were designed, synthesized and characterized by spectroscopic methods including HR-MS, 1H- and 13C-NMR. The crystal structure of compound I (R = Br) was determined by single-crystal X-ray diffraction. The compound crystallizes in the triclinic system, space group P1 with a = 4.7261(5), b = 10.4672(11), c = 14.5886(13) Å, α = 106.081(4)°, β = 91.043(3)°, γ = 99.456(4)°, Z = 2, V = 682.48(12) Å3, Mr = 348.16, Dc = 1.694 Mg/m3, S = 1.008, μ = 3.025 mm-1, F(000) = 348, the final R = 0.0775 and wR = 0.2080 for 2774 observed reflections (I > 2σ(I)). There are two kinds of hydrogen bonds (N(3)-H(3A)…N(2) and C(8)-H(8A)…O(3)) present in its crystal structure. The preliminary antifungal assay showed that compounds I (R = Cl, F) exhibited significant antifungal activities against several plant pathogenic fungi. The experimental process involved the reaction of Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Computed Properties of C3H3ClO3)
Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Computed Properties of C3H3ClO3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics