2,4,6-tris(3,6-dioxanona-8-ynyloxy)-1,3,5-triazine | 1234387-23-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,4,6-tris(3,6-dioxanona-8-ynyloxy)-1,3,5-triazine
• 英文别名: 2,4,6-Tris[2-(2-prop-2-ynoxyethoxy)ethoxy]-1,3,5-triazine；2,4,6-tris[2-(2-prop-2-ynoxyethoxy)ethoxy]-1,3,5-triazine
• CAS: 1234387-23-5
• 化学式: C₂₄H₃₃N₃O₉
• 分子量: 507.541
• InChiKey: OKXPMVJKUMYUJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  36
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,4,6-tris(3,6-dioxanona-8-ynyloxy)-1,3,5-triazine 在 copper(l) iodide 、 四甲基乙二胺 、 氧气 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以58%的产率得到1,20-bis(2',5',8',15',18',21'-hexaoxa-23',25',26'-triazabicyclo[20.3.1]hexacosa-22',24',26'(1')-triene-10',12'-diyne-24'-yl)-1,4,7,14,17,20-hexaoxaicosa-9,11-diyne
  参考文献：
  名称：

  Cryptands and bismacrocycles with cyanuric and isocyanuric units: synthesis and structural investigations

  摘要：

  Hay synthesis of cryptands and bismacrocycles starting from tripodands with cyanuric and isocyanuric cores is reported. The structure of the compounds is revealed by X-ray diffraction, NMR spectrometry and MS investigations. DNMR experiments carried out with bismacrocycles indicated the flipping of the rings and the free-energy barrier for the conformational process could be determined in one case. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.100
• 作为产物：
  描述：

  三聚氯氰 、 2-[2-(2-丙炔氧基)乙氧基]乙醇 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以63%的产率得到2,4,6-tris(3,6-dioxanona-8-ynyloxy)-1,3,5-triazine
  参考文献：
  名称：

  Synthesis of Podands with Cyanurate or Isocyanurate Cores and Terminal Triple Bonds

  摘要：

  报告了以氰尿酸或异氰尿酸核为核心、带有末端三键或溴化三键的聚氧乙烯侧臂的穴状配体合成。氰尿酸衍生穴状配体的起始原料为市售氰尿酸，而异氰尿酸衍生物则通过相应氰尿酸盐的热异构化获得。

  DOI：

  10.1055/s-0029-1218724

文献信息

• Synthesis of Podands with Cyanurate or Isocyanurate Cores and Terminal Triple Bonds
  作者：Crina Cismaş、Ion Grosu、Flavia Piron、Cornelia Oprea、Anamaria Terec、Jean Roncali

  DOI：10.1055/s-0029-1218724

  日期：2010.5

  The synthesis of podands with cyanuric or isocyanuric acid cores and oligoethyleneoxy pendant arms exhibiting terminal triple bonds or brominated triple bonds is reported. The starting material for cyanuric acid derived podands is commercially available cyanuric acid, while the isocyanuric derivatives are obtained by thermal isomerization of the corresponding cyanurates.

  报告了以氰尿酸或异氰尿酸核为核心、带有末端三键或溴化三键的聚氧乙烯侧臂的穴状配体合成。氰尿酸衍生穴状配体的起始原料为市售氰尿酸，而异氰尿酸衍生物则通过相应氰尿酸盐的热异构化获得。
• Cryptands and bismacrocycles with cyanuric and isocyanuric units: synthesis and structural investigations
  作者：Flavia Pop、Crina Socaci、Anamaria Terec、Eric Condamine、Richard Attila Varga、Ciprian I. Raţ、Jean Roncali、Ion Grosu

  DOI：10.1016/j.tet.2012.07.100

  日期：2012.10

  Hay synthesis of cryptands and bismacrocycles starting from tripodands with cyanuric and isocyanuric cores is reported. The structure of the compounds is revealed by X-ray diffraction, NMR spectrometry and MS investigations. DNMR experiments carried out with bismacrocycles indicated the flipping of the rings and the free-energy barrier for the conformational process could be determined in one case. (C) 2012 Elsevier Ltd. All rights reserved.