2,3-bis(hexadecyl)-9,10,16,17,23,24-hexa(1,4,7,10-tetraoxaundecyl)phthalocyanine

• 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-bis(hexadecyl)-9,10,16,17,23,24-hexa(1,4,7,10-tetraoxaundecyl)phthalocyanine
• 英文别名: 24,25-Dihexadecyl-6,7,15,16,33,34-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-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(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene；24,25-dihexadecyl-6,7,15,16,33,34-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-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(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene
• 化学式: C₁₀₆H₁₆₆N₈O₂₄
• 分子量: 1936.52
• InChiKey: BPUCKRBEPGUVJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.7
• 重原子数：
  138
• 可旋转键数：
  90
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  330
• 氢给体数：
  2
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  4,5-bis(hexadecyl)phthalonitrile 、 4,5-bis(1,4,7,10-tetraoxaundecyl)phthalonitrile 在 三甘醇单甲醚 、 lithium 作用下， 反应 4.0h， 以2.5%的产率得到2,3-bis(hexadecyl)-9,10,16,17,23,24-hexa(1,4,7,10-tetraoxaundecyl)phthalocyanine
  参考文献：
  名称：

  Clarkson, Guy J.; McKeown, Neil B.; Treacher, Kevin E., Journal of the Chemical Society. Perkin transactions I, 1995, # 14, p. 1817 - 1824

  摘要：

  DOI：

文献信息

• Clarkson, Guy J.; McKeown, Neil B.; Treacher, Kevin E., Journal of the Chemical Society. Perkin transactions I, 1995, # 14, p. 1817 - 1824
  作者：Clarkson, Guy J.、McKeown, Neil B.、Treacher, Kevin E.

  DOI：——

  日期：——
• SUBSTITUTED PHTHALOCYANINES
  申请人：THE SECRETARY OF STATE FOR DEFENCE

  公开号：EP0751977A1

  公开（公告）日：1997-01-08
• US5792860A
  申请人：——

  公开号：US5792860A

  公开（公告）日：1998-08-11
• [EN] SUBSTITUTED PHTHALOCYANINES<br/>[FR] PHTALOCYANINES SUBSTITUES
  申请人：THE SECRETARY OF STATE FOR DEFENCE

  公开号：WO1995026381A1

  公开（公告）日：1995-10-05

  (EN) Phthalocyanines of formula (I) are described, wherein M is a metal atom, metal compound or silicon or a compound of silicon or is 2H; R1-R25 may be the same or different, provided that at least one of R1-R25 has the Formula (II), wherein Y groups are independently H, C1-3 alkyl, halogen or CN; k = 0 or 1; 1 = 1-10; m = 0 or 1; n = 1-10; p = 1-10; q = 1-20; r = 0 or 1; X may be H, Me, etc.... Compounds of the above formulae are useful in a broad range of applications, including electro-optical devices, and for use in optical recording media.(FR) On décrit des phtalocyanines de formule (I) où M représente un atome métallique, un composé métallique, ou silicium ou un composé de silicium, ou 2H. R1 à R25 peuvent être identiques ou différents, à condition qu'au moins un d'entre eux présente la formule (II) où les groupes Y représentent indépendamment H, C1-3 alkyle ou CN, k vaut 0 ou 1, l = 1 à 10, m vaut 0 ou 1, n = 1 à 10, p = 1 à 10; q = 1 à 20, r vaut 0 ou 1, X peut représenter H, Me, etc. Des composés correspondant à ces formules trouvent de nombreuses utilisations qui incluent celles relatives aux dispositifs electro-optiques et aux supports d'enregistrement optique.
• Novel Amphiphilic Phthalocyanine Mesogens
  作者：Kevin E. Treacher、Guy J. Clarkson、Neil B. McKeown

  DOI：10.1080/10587259508038697

  日期：1995.2

  A number of novel amphiphilic phthalocyanines (Pcs) have been prepared containing long alkyl (-C16H33) and oligo(ethyleneoxy) chains (-O(C2H4O)(3)CH3) in the peripheral positions. All the Pcs prepared showed liquid crystalline behaviour, with most compounds giving two mesophases. Optical microscopy suggests that the lower temperature mesophase (M1) is a discotic rectangular mesophase, and that the higher temperature mesophase (M2) is a discotic hexagonal phase.