1,3,5-Tris-[2-(2-iodo-ethoxy)-ethoxymethyl]-benzene | 749250-91-7

• 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: 1,3,5-Tris-[2-(2-iodo-ethoxy)-ethoxymethyl]-benzene
• CAS: 749250-91-7
• 化学式: C₂₁H₃₃I₃O₆
• 分子量: 762.203
• InChiKey: DQPVMXZKRPIOPL-UHFFFAOYSA-N

物化性质

• 沸点：
  609.4±55.0 °C(Predicted)
• 密度：
  1.768±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  30.0
• 可旋转键数：
  21.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (6R,8R)-7,7-dimethyl-3-phenyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline 、 1,3,5-Tris-[2-(2-iodo-ethoxy)-ethoxymethyl]-benzene 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以56%的产率得到(1R,8S,9R)-8-[2-[2-[[3,5-bis[2-[2-[(1R,8S,9R)-10,10-dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethyl]-10,10-dimethyl-5-phenyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene
  参考文献：
  名称：

  Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes:  Characterization and Photophysical Properties

  摘要：

  Chiral, facial tris-cyclometalated Ir(III) complexes, fac-Delta-Ir(pppy)(3), fac-Lambda-Ir(pppy)(3), fac-Lambda-IrL (where pppy is (8R,10R)-2-(2'-phenyl)-4,5-pinenopyridine and L is a tripodal ligand comprising three pppy moieties connected through a mesityl spacer) have been synthesized and characterized. In IrL, NMR and CD studies indicate that only one diastereomer is formed, with the A configuration at the metal center, whereas enantiopure pppy yields the fac-Lambda- and the fac-Delta-stereoisomer in a ratio 2:3. fac-Lambda-IrL was structurally characterized using X-ray crystallography. The luminescence properties including CPL, of the three complexes and their sensitivity to dioxygen were examined.

  DOI：

  10.1021/ja048655d
• 作为产物：
  描述：

  1,3,5-tris(7'-hydroxy-2',5'-dioxa-1'-heptyl)benzene 在 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 11.0h， 生成 1,3,5-Tris-[2-(2-iodo-ethoxy)-ethoxymethyl]-benzene
  参考文献：
  名称：

  Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes:  Characterization and Photophysical Properties

  摘要：

  Chiral, facial tris-cyclometalated Ir(III) complexes, fac-Delta-Ir(pppy)(3), fac-Lambda-Ir(pppy)(3), fac-Lambda-IrL (where pppy is (8R,10R)-2-(2'-phenyl)-4,5-pinenopyridine and L is a tripodal ligand comprising three pppy moieties connected through a mesityl spacer) have been synthesized and characterized. In IrL, NMR and CD studies indicate that only one diastereomer is formed, with the A configuration at the metal center, whereas enantiopure pppy yields the fac-Lambda- and the fac-Delta-stereoisomer in a ratio 2:3. fac-Lambda-IrL was structurally characterized using X-ray crystallography. The luminescence properties including CPL, of the three complexes and their sensitivity to dioxygen were examined.

  DOI：

  10.1021/ja048655d