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One-pot Microwave-assisted Conversion of Anomeric Nitrate-esters to Trichloroacetimidates
Published on: January 15, 2018
5-Methyl-1-(3-nitro-benz-yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
Jie Xiao1, Wen Xiang Wang, Hong Zhao
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Abstract:
The title compound, C(11)H(10)N(4)O(4)·H(2)O, was synthesized from 1-azido-methyl-3-nitro-benzene and ethyl acetyl-acetate. Single-crystal X-ray analysis reveals that the dihedral angle between the triazole and benzene ring planes is 84.80 (2)°. The packing of the mol-ecules is stabilized by strong O-H⋯O hydrogen bonds involving the solvent water mol-ecules as donors and acceptors. The resulting layers are arranged into a three-dimensional framework via weak C-H⋯O inter-actions.
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Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
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