ethylene 1,2-bis(4,4"-dimethyl-1,1':3',1"-terphenyl-2'-carboxylate) | 155186-08-6

• 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: ethylene 1,2-bis(4,4"-dimethyl-1,1':3',1"-terphenyl-2'-carboxylate)
• 英文别名: 2-[2,6-bis(4-methylphenyl)benzoyl]oxyethyl 2,6-bis(4-methylphenyl)benzoate
• CAS: 155186-08-6
• 化学式: C₄₄H₃₈O₄
• 分子量: 630.783
• InChiKey: XOIFCPSPFNCOCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  48.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethylene 1,2-bis(4,4"-dimethyl-1,1':3',1"-terphenyl-2'-carboxylate) 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成
  参考文献：
  名称：

  Meta-terphenyls as building blocks for benzimidazolophanes

  摘要：

  Coupling of the dibromide 4 and the tetrabromide 6 with benzimidazole gave the benzimidazolophanes 1 and 2 respectively. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01163-5
• 作为产物：
  描述：

  对甲苯基溴化镁 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 ethylene 1,2-bis(4,4"-dimethyl-1,1':3',1"-terphenyl-2'-carboxylate)
  参考文献：
  名称：

  2′-Substituted meta-terphenyls as building blocks for cyclophanes with intra-annular functionality

  摘要：

  2'-Substituted m-terphenyls containing chloromethyl and/or thiomethyl groups at the 4,4'' or 3,3'' positions are used as building blocks for cyclophanes with intra-annular functionality. Syntheses are short and yields are good. The methodology, capable of wide structural variation, has been adapted to bi- and tricyclic cyclophanes.

  DOI：

  10.1016/0040-4020(94)01016-s

文献信息

• Synthesis of functionalised cyclophanes with cage structure; via an unusual termolecular collision
  作者：Perumal Rajakumar、Arunachalam Kannan

  DOI：10.1016/s0040-4039(00)61420-x

  日期：1993.12

  Coupling of the tetrathiol 11 with two equivalents of the dibromide 6,7 and 8 under high dilution technique in the presence of KOH in benzene - ethanol afforded the cyclophanes 1a, 1c & 1b respectively. Similarly cyclophane 1d was obtained from the tetrathiol 11 and tetrabromide 9.
• Synthesis of Cyclophanes with Intra-Annular Functionality and Cage Structure
  作者：Arunachalam Kannan、Perumal Rajakumar、V. Kabaleeswaran、S. S. Rajan

  DOI：10.1021/jo950957y

  日期：1996.1.1

  Cyclophanes of the type 1 and 2, with large cavity sizes, have been synthesized from the corresponding dichloride 8 or 8a and o-xylene-alpha,alpha'-dithiol (9), p-xylene-alpha,alpha'-dithiol (10), or m-terphenyldithiol (11). Similarly, cyclophanes of the type 3 with intra-annular functionality have been obtained by the coupling of the corresponding dithiol 15 or 19 and m-terphenyl dibromide 5, 5a, 5b, or 5c. With the aim of introducing multifunctionality, cyclophanes of the type 21 and 23 were prepared from 3,5-bis(mercaptomethyl)anisole or 3,5-bis(mercaptomethyl)phenol and the corresponding substituted m-terphenyl dibromide Bb or 5c. Cyclophanes 24, 24a, 24b, and 32, with a new type of cage structure, have been obtained by the coupling of the corresponding tetrathiol as with 2 equiv of the dibromides 5c, 5a, and 5b or 1 equiv of the tetrabromide 31, respectively. Further, the sodium salts of the cyclophanes 3c, 21, and 24b were completely characterized by H-1 NMR spectroscopy. XRD analysis of the cyclophane 21 revealed the presence of an ethanol molecule inside the cavity, indicating the facile formation of a host-guest complex.
• Meta-terphenyls as building blocks for benzimidazolophanes
  作者：Perumal Rajakumar、Muthialu Srisailas

  DOI：10.1016/s0040-4039(97)01163-5

  日期：1997.7

  Coupling of the dibromide 4 and the tetrabromide 6 with benzimidazole gave the benzimidazolophanes 1 and 2 respectively. (C) 1997 Elsevier Science Ltd.
• 2′-Substituted meta-terphenyls as building blocks for cyclophanes with intra-annular functionality
  作者：Harold Hart、Perumal Rajakumar

  DOI：10.1016/0040-4020(94)01016-s

  日期：1995.1

  2'-Substituted m-terphenyls containing chloromethyl and/or thiomethyl groups at the 4,4'' or 3,3'' positions are used as building blocks for cyclophanes with intra-annular functionality. Syntheses are short and yields are good. The methodology, capable of wide structural variation, has been adapted to bi- and tricyclic cyclophanes.