2,4,6-tri(2-isopropylidene-1-yl)hydrazono-1,3,5-triazine | 712273-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,4,6-tri(2-isopropylidene-1-yl)hydrazono-1,3,5-triazine
• CAS: 712273-55-7
• 化学式: C₁₂H₂₁N₉
• 分子量: 291.359
• InChiKey: DYNQTTDUOMIXQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111.84
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 zinc(II) chloride dihydrate 、 2,4,6-tri(2-isopropylidene-1-yl)hydrazono-1,3,5-triazine 以 甲醇 为溶剂， 以71%的产率得到[ZnCl2(2,4,6-tri(2-isopropylidene-1-yl)hydrazono-1,3,5-triazine)]*2CH3OH
  参考文献：
  名称：

  Synthesis, structure and third-order nonlinear optical properties of 1,3,5-triazine-based Zn(II) three-dimensional supramolecule

  摘要：

  A novel zinc(II) 1,3,5-triazine-based complex [Zn(TIPT)Cl-2].2CH(3)OH (1) (TIPT = 2,4,6-tri(2-ispropylidene-1-ly)hydrazono-1,3, 5-triazine) was prepared and structurally characterized by means of X-ray single crystal diffraction. The zinc(II) atom is coordinated at a distorted triangle bispyramid by three nitrogen atoms from TIPT and two Cl- anions. This compound exhibits a three-dimensional solid-state structure constituted by N-(HO)-O-..., O-(HCl)-Cl-..., N-(HCl)-Cl-... and C-(HCl)-Cl-... hydrogen bonds. The third-order nonlinear optical properties were determined by Z-scan techniques. The results indicate the compound exhibit strong self-focusing effect, and the hyperpolarizability gamma value is 8.26 X 10(-30) esu. Its thermal properties were also determined in air. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.03.008
• 作为产物：
  描述：

  2,4,6-三肼基-1,3,5-三嗪 、 丙酮 以 水 为溶剂， 以95.5%的产率得到2,4,6-tri(2-isopropylidene-1-yl)hydrazono-1,3,5-triazine
  参考文献：
  名称：

  Synthesis, structure and third-order nonlinear optical properties of 1,3,5-triazine-based Zn(II) three-dimensional supramolecule

  摘要：

  A novel zinc(II) 1,3,5-triazine-based complex [Zn(TIPT)Cl-2].2CH(3)OH (1) (TIPT = 2,4,6-tri(2-ispropylidene-1-ly)hydrazono-1,3, 5-triazine) was prepared and structurally characterized by means of X-ray single crystal diffraction. The zinc(II) atom is coordinated at a distorted triangle bispyramid by three nitrogen atoms from TIPT and two Cl- anions. This compound exhibits a three-dimensional solid-state structure constituted by N-(HO)-O-..., O-(HCl)-Cl-..., N-(HCl)-Cl-... and C-(HCl)-Cl-... hydrogen bonds. The third-order nonlinear optical properties were determined by Z-scan techniques. The results indicate the compound exhibit strong self-focusing effect, and the hyperpolarizability gamma value is 8.26 X 10(-30) esu. Its thermal properties were also determined in air. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.03.008

文献信息

• Synthesis, structure and third-order nonlinear optical properties of 1,3,5-triazine-based Zn(II) three-dimensional supramolecule
  作者：Fan Yaoting、Li Gang、Li Zifeng、Hou Hongwei、Mao Hairong

  DOI：10.1016/j.molstruc.2004.03.008

  日期：2004.5

  A novel zinc(II) 1,3,5-triazine-based complex [Zn(TIPT)Cl-2].2CH(3)OH (1) (TIPT = 2,4,6-tri(2-ispropylidene-1-ly)hydrazono-1,3, 5-triazine) was prepared and structurally characterized by means of X-ray single crystal diffraction. The zinc(II) atom is coordinated at a distorted triangle bispyramid by three nitrogen atoms from TIPT and two Cl- anions. This compound exhibits a three-dimensional solid-state structure constituted by N-(HO)-O-..., O-(HCl)-Cl-..., N-(HCl)-Cl-... and C-(HCl)-Cl-... hydrogen bonds. The third-order nonlinear optical properties were determined by Z-scan techniques. The results indicate the compound exhibit strong self-focusing effect, and the hyperpolarizability gamma value is 8.26 X 10(-30) esu. Its thermal properties were also determined in air. (C) 2004 Elsevier B.V. All rights reserved.