16,22,28,34,51,57,63,68-Octatert-butyl-76-phenylmethoxy-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20,22,24(76),26,28,30(75),32(37),33,35,48,50,52,55(73),56,58,61,63,66,68,70(72)-tetracosaen-75-ol | 1204403-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 16,22,28,34,51,57,63,68-Octatert-butyl-76-phenylmethoxy-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20,22,24(76),26,28,30(75),32(37),33,35,48,50,52,55(73),56,58,61,63,66,68,70(72)-tetracosaen-75-ol
• CAS: 1204403-10-0
• 化学式: C₁₁₃H₁₅₀O₁₂
• 分子量: 1700.43
• InChiKey: WTLLEMUMWKPEHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.4
• 重原子数：
  125
• 可旋转键数：
  17
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  16,22,28,34,51,57,63,68-Octatert-butyl-76-phenylmethoxy-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20,22,24(76),26,28,30(75),32(37),33,35,48,50,52,55(73),56,58,61,63,66,68,70(72)-tetracosaen-75-ol 、 溴乙酸乙酯 在 sodium hydride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 以90%的产率得到Ethyl 2-[(16,22,28,34,51,57,63,68-octatert-butyl-76-phenylmethoxy-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20(76),21,23,26,28,30(75),32,34,36,48,50,52,55,57,59(73),61,63,66(72),67,69-tetracosaen-75-yl)oxy]acetate
  参考文献：
  名称：

  固有手性Biscalix [4]芳烃：设计和合成

  摘要：

  通过将两个杯[4]芳烃结构单元共价组装在1,3-位上，并通过两个三乙二醇桥在较低的边缘连接1,2-位模式，从而设计并合成了手性双斯卡克斯[4]芳烃

  DOI：

  10.1021/jo9023792
• 作为产物：
  描述：

  16,22,28,34,51,57,63,68-Octatert-butyl-75,76-bis(phenylmethoxy)-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20(76),21,23,26,28,30(75),32,34,36,48,50,52,55(73),56,58,61,63,66,68,70(72)-tetracosaene 在 三甲基溴硅烷 、 水 作用下， 以 氯仿 为溶剂， 反应 0.75h， 以72%的产率得到16,22,28,34,51,57,63,68-Octatert-butyl-76-phenylmethoxy-72,73-dipropoxy-3,6,9,12,38,41,44,47-octaoxaundecacyclo[47.15.7.114,36.120,24.126,30.155,59.166,70.02,61.013,18.032,37.048,53]hexaheptaconta-1,13,15,17,20,22,24(76),26,28,30(75),32(37),33,35,48,50,52,55(73),56,58,61,63,66,68,70(72)-tetracosaen-75-ol
  参考文献：
  名称：

  固有手性Biscalix [4]芳烃：设计和合成

  摘要：

  通过将两个杯[4]芳烃结构单元共价组装在1,3-位上，并通过两个三乙二醇桥在较低的边缘连接1,2-位模式，从而设计并合成了手性双斯卡克斯[4]芳烃

  DOI：

  10.1021/jo9023792

文献信息

• Inherently Chiral Biscalix[4]arenes: Design and Syntheses
  作者：Jun Luo、Li-Ching Shen、Wen-Sheng Chung

  DOI：10.1021/jo9023792

  日期：2010.1.15

  Inherently chiral biscalix[4]arenes have been designed and synthesized by covalently assembling two calix[4]arene building blocks in a 1,3-position linking with 1,2-position pattern at the lower rims via two triethylene glycol bridges

  通过将两个杯[4]芳烃结构单元共价组装在1,3-位上，并通过两个三乙二醇桥在较低的边缘连接1,2-位模式，从而设计并合成了手性双斯卡克斯[4]芳烃