| 1352134-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 1352134-63-4
• 化学式: C₁₂₄H₁₁₂CuN₈O₁₆
• 分子量: 2033.84
• InChiKey: YNJYVCSIJYZVSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]phthalonitrile 在 N,N-二甲基乙醇胺 、 copper(l) chloride 作用下， 反应 0.17h， 以34%的产率得到
  参考文献：
  名称：

  Synthesis of new highly organosoluble metallophthalocyanines with 1,8-dioxo-octahydroxanthene substituents

  摘要：

  New highly organosoluble metallophthalocyanines (M = Zn, Co, Ni and Cu) bearing four [4-(3,3,6, 6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy] substituents at peripheral positions have been prepared by tetramerization of 4-[4-(3,3,6,6-tetramethyl-1,8-dioxo-dodecahydro-1H-xanthen-9-yl)phenoxylphthalonitrile in 2-(dimethylamino)ethanol using microwave irradiation or conventional heating. Ni(II), Co(II) and Cu(I) chloride were employed in order to synthesize the corresponding metal phthalocyanines and Zn(OAc)(2) was used for the preparation of the zinc phthalocyanines. 4-[4(3,3,6,6-Tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]phthalonitrile was obtained by nucleophilic displacement of the nitro group in 4-nitrophthalonitrile with 9-(4-hydroxypheny1)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione. 9-(4-Hydroxyphenyl)-3, 3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione was synthesized efficiently from dimedone and 4-hydroxybenzaldehyde. All the phthalocyanines are soluble in DMSO, DMF, CHCl3, THF, CH2Cl2, and CH3CN. The new compounds were characterized by IR, NMR, and UV-vis spectroscopy, elemental analysis and thermogravimetric analysis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.122