4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane | 96563-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane
• 英文别名: 1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-；4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
• CAS: 96563-15-4
• 化学式: C₁₅H₂₄N₂O₄S
• 分子量: 328.433
• InChiKey: SQOKGXKDOQLSGB-UHFFFAOYSA-N

物化性质

• 沸点：
  495.5±55.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane 在 lithium aluminium tetrahydride 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 132.0h， 生成 4,4'-(2-benzyl-1,3-propanediyl)bis(1,7-dioxa-4,10-diazacyclododecane)
  参考文献：
  名称：

  1,7-二恶英-4,10-二氮杂环十二烷的亲脂性笼状化合物：钠离子的强配体和非极性介质中的有效阴离子活化剂

  摘要：

  含有两个二氮杂-冠单元（3）的亲脂性笼状化合物（1）和（2）与钠盐形成非常稳定的络合物。它们可以在非极性介质中有效活化亲水性和/或高负电性阴离子。

  DOI：

  10.1039/c39850000132
• 作为产物：
  描述：

  N,N-bis<2-(2-hydroxyethoxy)ethyl>-p-toluenesulfonamide 在 吡啶 、 sodium hydroxide 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 116.0h， 生成 4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane
  参考文献：
  名称：

  Lipophilic cage ligands containing two tightly connected 1,7-dioxa-4,10-diazacyclododecane rings: synthesis and x-ray structure of a sodium perchlorate complex

  摘要：

  DOI：

  10.1021/jo00257a016

文献信息

• Synthesis and Characterization of a Novel Quinoxaline-Substituted<i>vic</i>-Dioxime and Its Complexes Containing Bis(12-Diazacrown-4) Derivatives
  作者：Ahmet Bilgin、Beytullah Ertem、Yasar Gök

  DOI：10.1246/bcsj.80.1549

  日期：2007.8.15

  A new quinoxaline-substituted vicinal dioxime ligand containing bis(12-diazacrown-4) units (H2L) was synthesized by the reaction of cyanogen di-N-oxide with compound 4. Mononuclear NiII and CuII co...

  通过二氮氧化物与化合物4的反应合成了一种新的含有双(12-二氮杂冠-4)单元(H2L)的喹喔啉取代的邻位二肟配体。单核NiII和CuII共...
• Synthesis and Photophysical Properties of Polyazacrown Ethers with Appended Naphthyl or Anthracenyl Units
  作者：Silvio Quici、Amedea Manfredi、Mauro Maestri、Ilse Manet、Paolo Passaniti、Vincenzo Balzani

  DOI：10.1002/1099-0690(200006)2000:11<2041::aid-ejoc2041>3.0.co;2-g

  日期：2000.6

  lower lying charge-transfer levels and, in the case of the compounds containing two and four anthracene moieties, of conformers where an anthracene-anthracene interaction is present. In all cases, each equivalent of added acid causes protonation of one equivalent of crown nitrogen. However, in the azacrown with four appended naphthyl units the revival of the naphthalene-type fluorescence does not parallel

  已经合成了含有 1、2 和 4 个附加萘基或蒽基单元的聚氮杂冠醚。已在 CH2Cl2 溶液中研究了新化合物的吸收光谱和光物理性质。聚氮杂冠醚胺氮的酸滴定引起吸收和荧光光谱的强烈变化。在萘家族的未质子化化合物中，萘型发射完全淬灭，并观察到弱、非结构化和宽的荧光带，最大波长为 440 nm。添加三氟乙酸后，吸收最大值移至红色几纳米，并观察到在 340 nm 处强萘型发射的恢复。这些结果是由质子化时最低激发态（CT 到 π-π*）的性质变化引起的。在蒽家族的化合物中，含有聚氮杂冠基的物质的去质子化形式在 300 nm 附近显示出吸收，并在较低能量下显示出长波长拖尾，这两种物质都不存在于 9-[(甲基氨基)甲基]蒽中。在所有情况下，都存在微弱的蒽型荧光，质子化时强度增加。此外，具有两个或四个蒽部分的化合物的发射光谱在较低能量下显示出依赖于激发的宽发射带，在质子化时几乎消失。这种行为可以通过较低的电
• Synthesis and Properties of New Lipophilic Macrotricyclic Cylindrical Cryptands
  作者：Silvio Quici、Amedea Manfredi、Laura Raimondi、Angelo Sironi

  DOI：10.1021/jo00125a025

  日期：1995.10

  Cylindrical cryptands 2a-c, in which two 1,7-dioxa-4,10-diazacyclododecane rings are connected by two equally substituted propylene bridges, have been obtained in appreciable yields by a ''one-pot'' synthesis. The assembling of the macrotricyclic structure is likely driven by the template effect of metal cations. These compounds, both as free receptors or as complexes, exist as cis and trans diastereoisomers, which do not interconvert and have been separated and characterized by X-ray analysis. The extraction constants (K-e) of cryptands 2 for alkali picrates under CHCl3/H2O and solid/liquid two-phase conditions have been measured by UV-vis spectrophotometry. The complexation behavior of cryptands 2 has been rationalized analyzing the preorganization of binding sites in the minimum energy conformations obtained by molecular mechanics calculations. Minimum energy conformations have been calculated also for the previously reported cryptands 1 and have been compared with those of 2. Results fit reasonably well with those of X-ray structures.
• Synthesis and alkali metal picrate extraction capabilities of novel, cage-functionalized diazacrown ethers. Effects of host preorganization on avidity and selectivity toward alkali metal picrates in solution
  作者：Alan P. Marchand、Artie S. McKim、Kaipenchery A. Kumar

  DOI：10.1016/s0040-4020(98)00823-0

  日期：1998.10

  The synthesis of a series of cage-functionalized bis(monoazacrown) ethers and bis(diazacrown) ethers is described. Alkali metal picrate extraction profiles have been determined for several members of this novel series of ionophores. The increased level of preorganization achieved when a cage-functionalized bis(diaza-crown) ether is incorporated into a "molecular box" results in higher levels of avidity and selectivity of the resulting host system toward alkali metal picrates in solution. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Lipophilic cage ligands containing two tightly connected 1,7-dioxa-4,10-diazacyclododecane rings: synthesis and x-ray structure of a sodium perchlorate complex
  作者：Pier Lucio Anelli、Fernando Montanari、Silvio Quici、Gianfranco Ciani、Angelo Sironi

  DOI：10.1021/jo00257a016

  日期：1988.10