2’-methoxy-3,4,3’,5’,4”-pentakis-(methoxymethoxy)-p-terphenyl | 1449247-18-0

• 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: 2’-methoxy-3,4,3’,5’,4”-pentakis-(methoxymethoxy)-p-terphenyl
• 英文别名: 2-[3,4-Bis(methoxymethoxy)phenyl]-4-methoxy-1,3-bis(methoxymethoxy)-5-[4-(methoxymethoxy)phenyl]benzene；2-[3,4-bis(methoxymethoxy)phenyl]-4-methoxy-1,3-bis(methoxymethoxy)-5-[4-(methoxymethoxy)phenyl]benzene
• CAS: 1449247-18-0
• 化学式: C₂₉H₃₆O₁₁
• 分子量: 560.598
• InChiKey: DIQNCNGCGRLQSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  40
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2’-methoxy-3,4,3’,5’,4”-pentakis-(methoxymethoxy)-p-terphenyl 在 盐酸 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 以86%的产率得到3-hydroxy-6'-O-desmethylterphenyllin
  参考文献：
  名称：

  Syntheses of 5′-O-desmethylterphenyllin and related p-terphenyls and their inhibitory activity of TNF-α release from RBL-2H3 cells

  摘要：

  The first total syntheses of 5'-O-desmethylterphenyllin and three related p-terphenyls have been achieved. The methodology features a Suzuki-Miyaura coupling reaction with a hindered aryl chloride as the key step. Two of the four synthesized 5'-O-desmethylterphenyllins exhibit moderate TNF-alpha release-inhibitory activity toward RBL-2H3 cells. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.062
• 作为产物：
  描述：

  3,4-bis(methoxymethoxy)phenylboronic acid 、 4-chloro-2-methoxy-3,5,4’-tris(methoxymethoxy)biphenyl 在 palladium diacetate 、 sodium hydroxide 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以93%的产率得到2’-methoxy-3,4,3’,5’,4”-pentakis-(methoxymethoxy)-p-terphenyl
  参考文献：
  名称：

  Syntheses of 5′-O-desmethylterphenyllin and related p-terphenyls and their inhibitory activity of TNF-α release from RBL-2H3 cells

  摘要：

  The first total syntheses of 5'-O-desmethylterphenyllin and three related p-terphenyls have been achieved. The methodology features a Suzuki-Miyaura coupling reaction with a hindered aryl chloride as the key step. Two of the four synthesized 5'-O-desmethylterphenyllins exhibit moderate TNF-alpha release-inhibitory activity toward RBL-2H3 cells. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.062