2,3,9,10,16,17,23,24-octa(4-methylphenylthio-)phthalocyanine | 653576-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2,3,9,10,16,17,23,24-octa(4-methylphenylthio-)phthalocyanine
• 英文别名: 6,7,15,16,24,25,33,34-Octakis[(4-methylphenyl)sulfanyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene；6,7,15,16,24,25,33,34-octakis[(4-methylphenyl)sulfanyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• CAS: 653576-68-2
• 化学式: C₈₈H₆₆N₈S₈
• 分子量: 1492.07
• InChiKey: RJSCZBLKTLEGAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.8
• 重原子数：
  104
• 可旋转键数：
  16
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  311
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2,3,9,10,16,17,23,24-octa(4-methylphenylthio-)phthalocyanine 、 zinc diacetate 以 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到2,3,9,10,16,17,23,24-octa(4-methylphenylthio)phthalocyaninatozinc(II)
  参考文献：
  名称：

  Synthesis, spectroscopy and photochemistry of octasubstituted thiol-derivatized phthalocyaninatozinc(II) complexes

  摘要：

  Synthesis, spectroscopic and photochemical characterization of phenylthiol-derivatized zinc phthalocyanine complex: 2,3,9,10,16,17,23,24-octa(4-methylphenylthio-)phthalocyaninatozine(II) [ZnPC(SC6H4CH3)(8)] (3a) and its alkanethiol derivative, 2,3,9,10,16,17,23,24-octabutylthiophthatocyaninatozinc(II) [ZnPc(SC4H9)(8)] (3b) are described. Spectroscopic analyses show that 3a has a higher aggregation tendency than 3b in organic solvents. Photochemical studies indicate that 3b is more photostable and more efficient at singlet oxygen generation than 3a. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s1387-7003(03)00218-1

文献信息

• Synthesis, spectroscopy and photochemistry of octasubstituted thiol-derivatized phthalocyaninatozinc(II) complexes
  作者：Kenneth I. Ozoemena、Tebello Nyokong

  DOI：10.1016/s1387-7003(03)00218-1

  日期：2003.9

  Synthesis, spectroscopic and photochemical characterization of phenylthiol-derivatized zinc phthalocyanine complex: 2,3,9,10,16,17,23,24-octa(4-methylphenylthio-)phthalocyaninatozine(II) [ZnPC(SC6H4CH3)(8)] (3a) and its alkanethiol derivative, 2,3,9,10,16,17,23,24-octabutylthiophthatocyaninatozinc(II) [ZnPc(SC4H9)(8)] (3b) are described. Spectroscopic analyses show that 3a has a higher aggregation tendency than 3b in organic solvents. Photochemical studies indicate that 3b is more photostable and more efficient at singlet oxygen generation than 3a. (C) 2003 Elsevier B.V. All rights reserved.