5,9,14,18,23,27,32,36-八丁氧基-2,3-萘酞菁铜(II) | 155773-67-4

• 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
• 中文名称: 5,9,14,18,23,27,32,36-八丁氧基-2,3-萘酞菁铜(II)
• 中文别名: 5,9,14,18,23,27,32,36-八丁氧基-2,3-萘酞菁铜；铜(II)5,9,14,18,23,27,32,36-八丁氧基-2,3-萘酞菁
• 英文名称: Cu(5,9,14,18,23,27,32,36-octabutoxynaphthalocyanine(2-))
• 英文别名: Copper(ii)5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine；copper;5,12,18,25,31,38,44,51-octabutoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
• CAS: 155773-67-4
• 化学式: C₈₀H₈₈CuN₈O₈
• 分子量: 1353.17
• InChiKey: JJIWQZDKAOMTKU-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  在常温常压下保持稳定，应避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  20.17
• 重原子数：
  97
• 可旋转键数：
  32
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  12

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  copper diacetate 、 5,9,14,18,23,27,32,36-八丁氧基-2,3-萘甲醛花菁 以 四氢呋喃 为溶剂， 反应 4.0h， 以97%的产率得到5,9,14,18,23,27,32,36-八丁氧基-2,3-萘酞菁铜(II)
  参考文献：
  名称：

  METHOD OF PROVING AUTHENTICITY, SIGNAL CONVERSION METHOD, POLYMER WELDING METHOD, METHOD OF PRODUCING LITHOGRAPHIC PRINTING PLATE, INK FOR PRINTING, TONER, AND HEAT RAY-SHIELDING MATERIAL, EACH USING NAPHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING NAPHTHALOCYANINE COMPOUND

  摘要：

  公开了一种证明商品真实性或使用包含以式（I）表示的化合物的支持的方法。在式（I）中，R11到R46中的每一个独立地表示氢原子或取代基团，其中当苯环用任何R11到R46中的任何基团取代时，R11到R46中相邻的任何基团可以彼此键合以形成环；M表示氢原子、金属离子或含金属离子的基团；n表示1或2。红外吸收效率高，随时间的推移，红外吸收的恶化得到改善。

  公开号：

  US20110311911A1

文献信息

• Photophysical Behavior of Open-Shell First-Row Transition-Metal Octabutoxynaphthalocyanines: CoNc(OBu)₈ and CuNc(OBu)₈ as Case Studies
  作者：Alexandra V. Soldatova、Junhwan Kim、Angela Rosa、Giampaolo Ricciardi、Malcolm E. Kenney、Michael A. J. Rodgers

  DOI：10.1021/ic7023204

  日期：2008.5.19

  Ultrafast photodynamics and density functional theory/time-dependent density functional theory (DFT/TDDFT) results for complexes of Co and Cu with 5,9,14,18,23,27,32,36-octabutoxynaphthalocyanine [CoNc(OBu)(8) and CuNc(OBu)(8)] are reported. As a basis for this work, details concerning the syntheses of these complexes and the corresponding Zn complex (used as a reference) are given. Transient absorption spectrometry with femtosecond time resolution combined with a detailed DFT/TDDFT analysis has been employed to construct a complete picture of the excited-state dynamics after Q-band excitation of the Co and Cu complexes and to gain an understanding of the relationship between the nature of the metal center and the excited-state lifetime. The Co complex was shown to return to its ground state via two competing channels: a T-2(1)(pi, pi*) state that decayed with a lifetime of 1 ps and a low-lying (2)(d, d) state that repopulated the ground-state surface with a lifetime of 15 ps. CuNc (OBu)(8) showed ground-state repopulation from the T-2(1)(pi, pi*) state via a lower-lying ligand-to-metal charge-transfer (LMCT) state that was completed within a few nanoseconds. The photophysical behavior of the cobalt and copper complexes was compared to that previously reported for the nickel analog in an effort to highlight the effect of the central metal on the nature and rates of the deactivation pathways. The results described in this work provide basic knowledge that is relevant to the use of these compounds as photothermal sensitizers in cancer therapy.
• METHOD OF PROVING AUTHENTICITY, SIGNAL CONVERSION METHOD, POLYMER WELDING METHOD, METHOD OF PRODUCING LITHOGRAPHIC PRINTING PLATE, INK FOR PRINTING, TONER, AND HEAT RAY-SHIELDING MATERIAL, EACH USING NAPHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING NAPHTHALOCYANINE COMPOUND
  申请人：Kimura Keizo

  公开号：US20110311911A1

  公开（公告）日：2011-12-22

  Disclosed is a method of proving the authenticity of goods or a support comprising using a compound represented by Formula (I). wherein, in Formula (I), each of R 11 to R 46 independently represents a hydrogen atom or a substituent group, wherein when a benzene ring is substituted with any of R 11 to R 46 , any groups adjacent to each other among R 11 to R 46 may be bonded each other to form a ring; M represents a hydrogen atom, a metal ion, or a group containing a metal ion; and n represents 1 or 2. The infrared absorption efficiency is high and the deterioration in infrared absorption over time is ameliorated. The infrared absorption efficiency is high and the deterioration in infrared absorption over time is ameliorated.

  公开了一种证明商品真实性或使用包含以式（I）表示的化合物的支持的方法。在式（I）中，R11到R46中的每一个独立地表示氢原子或取代基团，其中当苯环用任何R11到R46中的任何基团取代时，R11到R46中相邻的任何基团可以彼此键合以形成环；M表示氢原子、金属离子或含金属离子的基团；n表示1或2。红外吸收效率高，随时间的推移，红外吸收的恶化得到改善。