Synthesis, characterization, and structural analysis of ethyl (2Z)-3-(4-chlorophenyl)-2-cyano-3-(methoxyamino)prop-2-enoate

Johnson JE; Canseco DC; Dolliver DD; Rowe JE; Fronczek FR

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Synthesis, characterization, and structural analysis of ethyl (2Z)-3-(4-chlorophenyl)-2-cyano-3-(methoxyamino)prop-2-enoate

机译：（2Z）-3-（4-氯苯基）-2-氰基-3-（甲氧基氨基）丙-2-烯酸酯的合成，表征和结构分析

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摘要

Ethyl (2Z)-3-(4-chlorophenyl)-2-cyano-3-(methoxyamino)prop-2-enoate was prepared by reacting the lithium salt of ethyl cyanoacetate with (Z)-O-methyl-4-chloroben-zohydroximoyl fluoride. This compound crystallizes in space group Pbca,with lattice constants a=7.5740(15) angstrom, b=11.337(2) angstrom, and c=30.424(5) angstrom at 110 K. Characterizations include spectrometric identifications employing IR, UV, and H-1 and C-13 NMR. The compound exists in the solid as the enamine tautomer, with the cyano group cis to the 4-chlorophenyl group (the Z configuration). The C=C and C-N bond distances are 1.3930(16) angstrom and 1.3278(16) angstrom, respectively. The N-H group forms a bifurcated hydrogen bond with acceptors C=O (intramolecular) and C=N (intermolecular).

机译：（2Z）-3-（4-氯苯基）-2-氰基-3-（甲氧基氨基）丙-2-烯酸酯是通过使氰基乙酸乙酯的锂盐与（Z）-O-甲基-4-氯代苯甲酸酯-反应制得的。唑氧肟基氟。该化合物在空间群Pbca中结晶，晶格常数a = 7.5740（15）埃，b = 11.337（2）埃，c = 30.424（5）埃，在110 K时表征。特征包括使用IR，UV和H的光谱鉴定-1和C-13 NMR。该化合物作为烯胺互变异构体存在于固体中，其氰基顺式为4-氯苯基（Z构型）。 C = C和C-N键距分别为1.3930（16）埃和1.3278（16）埃。 N-H基团与受体C ＝ O（分子内）和C ＝ N（分子间）形成分叉的氢键。

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《Journal of chemical crystallography》 |2006年第10期|共6页
作者
Johnson JE; Canseco DC; Dolliver DD; Rowe JE; Fronczek FR;
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正文语种 eng
中图分类晶体学;
关键词
crystal structure; enamine; N-methoxyenamine; N-methoxyoxime; METHANETRICARBOXYLIC ESTERS; SUBSTITUENTS;

机译：晶体结构;烯胺;N-甲氧基烯胺;N-甲氧基肟;甲基羧酸酯;取代基;

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Synthesis, characterization, and structural analysis of ethyl (2Z)-3-(4-chlorophenyl)-2-cyano-3-(methoxyamino)prop-2-enoate

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