N,N-diethyl-2,2-diphenyl-3-(3,5-dinitrophenyl)-2H-benzo[e][1,3,2]oxazaborinin-7-amine | 1392321-50-4

• 英文名称: N,N-diethyl-2,2-diphenyl-3-(3,5-dinitrophenyl)-2H-benzo[e][1,3,2]oxazaborinin-7-amine
• CAS: 1392321-50-4
• 化学式: C₂₆H₂₀BN₃O₆
• 分子量: 481.272
• InChiKey: OAMTYPJHIDGTDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  二苯基二烃基硼酸 、 2-[(3,5-Dinitrophenyl)iminomethyl]-5-methoxyphenol 反应 3.0h， 以71%的产率得到N,N-diethyl-2,2-diphenyl-3-(3,5-dinitrophenyl)-2H-benzo[e][1,3,2]oxazaborinin-7-amine
  参考文献：
  名称：

  Synthesis, X-ray diffraction analysis, and chemical–optical characterizations of boron complexes from bidentate ligands

  摘要：

  Herein is reported the synthesis and X-ray diffraction analysis for three boron complexes (2a-2c) prepared from the reaction of bidentate ligands (1a-1c) and diphenylborinic acid. Chemical characterization for the borinates is completed with IR. UV-Vis and NMR techniques, particularly B-11 NMR spectra confirmed the formation of boron complexes. X-ray diffraction analysis showed that for compounds 2a and 2c a non-planar conformation for the main pi-backbone is acquired after boron complexation; for compound 2b the planar conformation is preserved. Additionally, cubic nonlinear optical (NLO) properties were evaluated, through the optical susceptibility chi((3)) (-3 omega, omega, omega, omega), using the THG Maker-Fringes technique. Results showed that chi((3)) response decreases from ligands to boron complexes: this behavior could be attributed to a structural conformation or deformation of the electronic pi-system after boron complexation. The demonstrated electronic and structural features of these borinates could be useful for new strategies in the design of novel NLO dyes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.043