3-Butyl-2-[4-[2-[4-[3-butyl-5-[4-(1,3-dithiolan-2-yl)phenyl]furan-2-yl]phenyl]ethyl]phenyl]-5-[4-(1,3-dithiolan-2-yl)phenyl]furan | 629670-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 3-Butyl-2-[4-[2-[4-[3-butyl-5-[4-(1,3-dithiolan-2-yl)phenyl]furan-2-yl]phenyl]ethyl]phenyl]-5-[4-(1,3-dithiolan-2-yl)phenyl]furan
• 英文别名: 3-butyl-2-[4-[2-[4-[3-butyl-5-[4-(1,3-dithiolan-2-yl)phenyl]furan-2-yl]phenyl]ethyl]phenyl]-5-[4-(1,3-dithiolan-2-yl)phenyl]furan
• CAS: 629670-37-7
• 化学式: C₄₈H₅₀O₂S₄
• 分子量: 787.188
• InChiKey: WXALSWHVUXQOMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  54
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-Butyl-2-[4-[2-[4-[3-butyl-5-[4-(1,3-dithiolan-2-yl)phenyl]furan-2-yl]phenyl]ethyl]phenyl]-5-[4-(1,3-dithiolan-2-yl)phenyl]furan 在 六羰基钨 作用下， 以 氯苯 为溶剂， 反应 48.0h， 以25%的产率得到(10Z)-3,18-dibutyl-33,38-dioxaheptacyclo[24.2.2.26,9.212,15.220,23.12,5.116,19]octatriaconta-1(28),2,4,6(37),7,9(36),10,12(35),13,15(34),16,18,20,22,26,29,31-heptadecaene
  参考文献：
  名称：

  Furan-Containing Oligoaryl Cyclophanene

  摘要：

  Furan-containing oligoaryl cyclophanene 1 and the corresponding cyclophane 2 were synthesized from propargylic dithioacetal 3. The electrochemical and photophysical properties and the fluxional behavior of these molecules have been examined. The emission of 1 appeared at 499 nm whereas that of 2 appeared at 389 nm.

  DOI：

  10.1021/ol0356688
• 作为产物：
  描述：

  4-[2-(4-甲酰基苯基)乙基]苯甲醛 在 manganese(IV) oxide 、 正丁基锂 、 三氟化硼乙醚 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 33.83h， 生成 3-Butyl-2-[4-[2-[4-[3-butyl-5-[4-(1,3-dithiolan-2-yl)phenyl]furan-2-yl]phenyl]ethyl]phenyl]-5-[4-(1,3-dithiolan-2-yl)phenyl]furan
  参考文献：
  名称：

  Furan-Containing Oligoaryl Cyclophanene

  摘要：

  Furan-containing oligoaryl cyclophanene 1 and the corresponding cyclophane 2 were synthesized from propargylic dithioacetal 3. The electrochemical and photophysical properties and the fluxional behavior of these molecules have been examined. The emission of 1 appeared at 499 nm whereas that of 2 appeared at 389 nm.

  DOI：

  10.1021/ol0356688

文献信息

• Furan-Containing Oligoaryl Cyclophanene
  作者：Jui-Chang Tseng、Shou-Ling Huang、Cheng-Lan Lin、Hsin-Chieh Lin、Bih-Yaw Jin、Chun-Yan Chen、Jen-Kan Yu、Pi-Tai Chou、Tien-Yau Luh

  DOI：10.1021/ol0356688

  日期：2003.11.1

  Furan-containing oligoaryl cyclophanene 1 and the corresponding cyclophane 2 were synthesized from propargylic dithioacetal 3. The electrochemical and photophysical properties and the fluxional behavior of these molecules have been examined. The emission of 1 appeared at 499 nm whereas that of 2 appeared at 389 nm.