Design and Crystal Structures of Two New Compounds Fused with 3,4,5-Trimethoxybenzyl Group and 6,10-Dioxaspiro Group

Abstract

Two new compounds, 8-(3,4,5-trimethoxybenzylidene)-6,10-dioxaspiro[4,5]decane-7,9-dione (J1) and 8-(3,4,5-trimethoxybenzyl)-6,10-dioxaspiro[4,5]decane-7,9-dione (J2) have been designed and generated by the reaction of 3,4,5-trimethoxybenzaldehyde with 6,10-dioxaspiro[4,5]decane-7,9-dione in different solvents. The 3,4,5-trimethoxybenzyl group of the two compounds connects with the dioxaspiro group via double bond (J1) and single bond (J2), respectively. The crystal structure determinations show that Compound J1 belongs to the triclinic system, space group P-1 with a = 5.4056(11) Å, b = 11.465(2) Å, c = 13.502(3) Å, α = 92.06(3) • Å, β = 91.35(3) • , γ = 93.50(3) • , C 18 H 20 O 7 , Mr = 348.34, V = 834.4(3) Å 3 , Z = 2, Dc = 1.386 g/cm 3 , F(000) = 368. Compound J2 is also of the triclinic system, space group P-1 with a = 8.8778(18) Å, b = 9.5285(19) Å, c = 11.082(4) Å, α = 89.69(3) • , β = 67.38(3) • , γ = 81.68(3) • , C 18 H 22 O 7 , Mr = 250.36, V = 854.9(3) Å 3 , Z = 2, Dc = 1.361 g/cm 3 , F(000) = 372. Both compounds form three-dimensional network structures via C-H•••O intra-and intermolecular hydrogen bonds.

Synthesis of Novel 6-Aryloxy-4-chloro-2-phenylpyrimidines as Fungicides and Herbicide Safeners

“…Substituted benzene ring connected to pyrimidine through an oxygen atom (Figure ). Furthermore, the bonds N(2)–C(3) (1.328(6) Å), N(1)–C(4) (1.351(6) Å), N(2)–C(4) (1.339(7) Å), and N(1)–C(1) (1.321(6) Å) in the pyrimidine ring were similar to bonds N–C (1.307–1.366 Å) in pyrimidine reported previously. − The bonds in two phenyl rings, such as C(5)–C(10) (1.397(7) Å), C(6)–C(7) (1.383(7) Å), C(5)–C(6) (1.393(7) Å), C(11)–C(12) (1.383(7) Å), C(12)–C(13) (1.387(7) Å), and C(13)–C(14) (1.380(7) Å) were also similar to the reported C–C bonds in phenyl (1.359–1.399 Å). − The chloro-substituted benzene ring was connected to the phenylpyrimidine ring through an oxygen atom with a C(1)–O(1)–C(11) bond angle of 119.3(4)°.…”

“… 53 − 55 The bonds in two phenyl rings, such as C(5)–C(10) (1.397(7) Å), C(6)–C(7) (1.383(7) Å), C(5)–C(6) (1.393(7) Å), C(11)–C(12) (1.383(7) Å), C(12)–C(13) (1.387(7) Å), and C(13)–C(14) (1.380(7) Å) were also similar to the reported C–C bonds in phenyl (1.359–1.399 Å). 56 − 58 The chloro-substituted benzene ring was connected to the phenylpyrimidine ring through an oxygen atom with a C(1)–O(1)–C(11) bond angle of 119.3(4)°.…”

Crystal structure of 8-(3,4-dimethylbenzylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C17H18O4

“…In recent years, application of spiro compounds in optical fields such as organic semiconductor [11], fluorescent switches [12] and deep-blue emitting materials [13] has also received much attention. A large number of spiro compounds were synthesized for ten years [14][15][16][17][18]. As a continuation of our research, the title compound was obtained.…”

Synthesis, Crystal Structures, and Density Functional Theory Studies of Two Salt Cocrystals Containing Meldrum’s Acid Group

“…In particular, C-5-substituted derivatives of Meldrum’s acid have attracted considerable interest owing to their structure and unique properties. Different synthetic routes toward the C(5)-position of Meldrum’s acid have been reported. − Based on the above facts, a series of C-5-substituted derivatives of Meldrum’s acid were prepared by our group during the past 10 years. − However, to the best of our knowledge, most of the reported preparation methods are step by step, and each intermediate needs to be isolated and purified. In this work, two salt cocrystals containing Meldrum’s acid group are available via a simple one-pot eco-friendly method.…”