7,9,19,21,31,33,43,45-Octamethyl-2,7,9,14,19,21,26,31,33,38,43,45,49,50,51,52-hexadecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-8,20,32,44-tetrone | 1264550-08-4

• 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: 7,9,19,21,31,33,43,45-Octamethyl-2,7,9,14,19,21,26,31,33,38,43,45,49,50,51,52-hexadecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-8,20,32,44-tetrone
• CAS: 1264550-08-4
• 化学式: C₄₄H₃₄N₁₆O₄
• 分子量: 850.859
• InChiKey: SMQDKMHHKYWPLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  64
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  203
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,3-Dimethyl-2-oxobenzimidazole-5,6-dicarbonitrile 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 戊醇 为溶剂， 反应 24.0h， 以13%的产率得到7,9,19,21,31,33,43,45-Octamethyl-2,7,9,14,19,21,26,31,33,38,43,45,49,50,51,52-hexadecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-8,20,32,44-tetrone
  参考文献：
  名称：

  PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND

  摘要：

  公开号：

  EP2465860B1

文献信息

• PHTHALOCYANINE COMPOUND AND PRODUCTION METHOD THEREFOR, AND COLORING COMPOSITION CONTAINING THE PHTHALOCYANINE COMPOUND
  申请人：Kondou Hitoshi

  公开号：US20120232194A1

  公开（公告）日：2012-09-13

  Provided is a phthalocyanine compound which is halogen-free and which has a green hue, excellent resistance to organic solvents and acids, and high chroma. Also provided are a metal-free phthalocyanine compound or a metal phthalocyanine compound represented by specified general formula (1-1) or (1-2) and having a N,N′-disubstituted imidazolone structure or piperazinedione structure introduced therein, and a coloring composition including the compound and a synthetic resin. The phthalocyanine compound of the present invention exhibits a clear green color and is halogen-free, and is thus useful as a clear green pigment for coloring materials such as a coating material, plastic, a printing ink, rubber, leather, textile printing, a color filter, a jet ink, a heat transfer ink, etc.
• PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION
  申请人：DIC Corporation

  公开号：US20170327510A1

  公开（公告）日：2017-11-16

  Provided is a phthalocyanine compound which has a green hue without having a halogen atom, and exhibits high luminance and an excellent coloring force at the time of being used for preparing a green pixel unit of a color filter. The phthalocyanine compound of the present invention has green hues without having a halogen atom, and exhibits high luminance and an excellent coloring force at the time of being used for preparing the green pixel unit of the color filter. In addition, the phthalocyanine compound can be used not only for the color filter, but also as a colorant for a wide range of applications as a general colorant such as printing ink, paint, colored plastic, toner, and ink for ink jet.
• US8809427B2
  申请人：——

  公开号：US8809427B2

  公开（公告）日：2014-08-19
• US9994580B2
  申请人：——

  公开号：US9994580B2

  公开（公告）日：2018-06-12