1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8-tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane Dichlorotetraoxacalix[2]naphthalene[2]triazine | 1286747-79-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8-tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane Dichlorotetraoxacalix[2]naphthalene[2]triazine
• 英文别名: 5,19-dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36-hexazaheptacyclo[21.5.3.39,15.13,7.117,21.026,30.012,34]hexatriaconta-1(29),3(36),4,6,9(35),10,12(34),13,15(33),17,19,21(32),23(31),24,26(30),27-hexadecaene
• CAS: 1286747-79-2
• 化学式: C₂₆H₁₂Cl₂N₆O₄
• 分子量: 543.325
• InChiKey: UBEZONCPBYTLFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,7-二羟基萘 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 64.5h， 生成 1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8-tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane Dichlorotetraoxacalix[2]naphthalene[2]triazine
  参考文献：
  名称：

  Novel naphthalene-based fluorescent chemosensors for Cu²⁺and Fe³⁺in aqueous media

  摘要：

  Three novel compounds bearing 2,7-dihydroxylnaphthalene capable of detecting Cu2+ or Fe3+ have been synthesised based on photoinduced electron transfer. The ability of these compounds for complex transition metal ions has been studied, and complex stoichiometry for Cu2+ and Fe3+ complex has been determined in the TrisHCl (0.01M DMSO/H2O (v/v) 1:1, buffer, pH 7.4) solution system by fluorescence titration experiments. These chemosensors form a 1:1 complex with Cu2+ or Fe3+ and show a fluorescent quenching with a binding constant of (4.46 +/- 0.29)x103 and (8.04 +/- 0.26)x104, respectively.

  DOI：

  10.1080/10610278.2012.735366

文献信息

• One-Pot Synthesis of Oxacalixarene Derivatives with Tunable Cavity Size Using Miscellaneous Linkers
  作者：Anxin Wu、Yanping Zhu、Jingjing Yuan、Yitao Li、Meng Gao、Liping Cao、Jiaoyang Ding

  DOI：10.1055/s-0030-1259102

  日期：2011.1

  Five oxacalixarene derivatives with different linkers including fluorescent units, soft donor atoms, and hydrogen-bond acceptors have been prepared via one-pot approach. Crystal structure reveals that oxacalixarene adopts a classical 1,3-alternate conformation. In contrast, the oxacalixarene adopts a cavity-like conformation. The inner cavity size is up to 13.357 Å and guest molecules, such as chloroform, are included in its solid state.

  通过一锅法制备了五种含有不同连接物（包括荧光单元、软供体原子和氢键受体）的草卡六烯衍生物。晶体结构显示，草呲蒈烯采用经典的 1,3-互变构象。相比之下，草呲蒈烯采用的是空腔状构象。其内腔尺寸高达 13.357 Å，并且在其固态中含有氯仿等客体分子。