2-(4,4-dimethyloxazolin-2-yl)-4-iodophenol | 921601-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(4,4-dimethyloxazolin-2-yl)-4-iodophenol
• 英文别名: 6-(4,4-Dimethyl-1,3-oxazolidin-2-ylidene)-4-iodocyclohexa-2,4-dien-1-one；2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-iodophenol
• CAS: 921601-30-1
• 化学式: C₁₁H₁₂INO₂
• 分子量: 317.126
• InChiKey: WFDXYDQIYVOANH-UHFFFAOYSA-N

物化性质

• 沸点：
  381.9±37.0 °C(Predicted)
• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4,4-dimethyloxazolin-2-yl)-4-iodophenol 、 2,12-diethynyl-7-(3,5-di-tert-butylphenyl)dibenz[c,h]acridine 在 copper(l) iodide 、 四(三苯基膦)钯 三乙胺 作用下， 反应 36.0h， 以86%的产率得到2,12-bis[3-(4,4-dimethyloxazolin-2-yl)-4-hydroxyphenylethynyl]-[7-(3,5-di-tert-butylphenyl)dibenzo[c,h]acridine]
  参考文献：
  名称：

  Self-assembly of rectangles via building units bearing salen and oxazoline ligands

  摘要：

  Rigid spacer-chelator with the framework of 3 has been prepared. Building units with two parallel coordination sites such as salen and oxazoline units have also been synthesized. The spacer-chelators, 11 and 15, readily self-assembled with metal complexes such as Zn++ and Co++ to form molecular rectangles. The overall dimensions of the rectangles, 13 and 17, are 6.2 angstrom x 23.5 angstrom. The characterization of the supramolecules by NMR, mass spectroscopy, and X-ray crystal structures is also reported. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.063
• 作为产物：
  描述：

  5-碘水杨酸 、 2-氨基-2-甲基-1-丙醇 在 四氯化碳 、 三乙胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以90%的产率得到2-(4,4-dimethyloxazolin-2-yl)-4-iodophenol
  参考文献：
  名称：

  Self-assembly of rectangles via building units bearing salen and oxazoline ligands

  摘要：

  Rigid spacer-chelator with the framework of 3 has been prepared. Building units with two parallel coordination sites such as salen and oxazoline units have also been synthesized. The spacer-chelators, 11 and 15, readily self-assembled with metal complexes such as Zn++ and Co++ to form molecular rectangles. The overall dimensions of the rectangles, 13 and 17, are 6.2 angstrom x 23.5 angstrom. The characterization of the supramolecules by NMR, mass spectroscopy, and X-ray crystal structures is also reported. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.063