4,4'-sulfanediylbis(3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione) | 1225504-27-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4,4'-sulfanediylbis(3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione)
• 英文别名: 4,4'-thiobis(3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione)；3,6-Ditert-butyl-4-(2,5-ditert-butyl-3,4-dioxocyclohexa-1,5-dien-1-yl)sulfanylcyclohexa-3,5-diene-1,2-dione；3,6-ditert-butyl-4-(2,5-ditert-butyl-3,4-dioxocyclohexa-1,5-dien-1-yl)sulfanylcyclohexa-3,5-diene-1,2-dione
• CAS: 1225504-27-7
• 化学式: C₂₈H₃₈O₄S
• 分子量: 470.673
• InChiKey: RQJANOHLCQPULQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  93.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,4'-sulfanediylbis(3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione) 以 paraffine 为溶剂， 生成
  参考文献：
  名称：

  Features of photolytic transformations of di-o-quinones containing sulfide fragments

  摘要：

  Quantum yields and products of photolytic transformation of bis(2,5-di-tert-butylcyclohexadiene-1,5-dion-3,4-yl)sulfide and 1,4,7,10-tetra-tert-butyl-5,6,11,12-tetrathia-dibenzo-cyclooctene-2,3,8,9-tetraone dissolved in saturated hydrocarbon at the action of irradiation with wavelength 436 and 313 nm, respectively. Possible mechanism of these photo reactions is proposed.

  DOI：

  10.1134/s1070363209060206
• 作为产物：
  描述：

  4-chloro-3,6-di-tert-butyl-o-benzoquinone 在 sodium sulfide 作用下， 以100%的产率得到4,4'-sulfanediylbis(3,6-di-tert-butylcyclohexa-3,5-diene-1,2-dione)
  参考文献：
  名称：

  Novel method for the synthesis of functionalized tetrathiafulvalenes, an acceptor–donor–acceptor molecule comprising of two o-quinone moieties linked by a TTF bridge

  摘要：

  In search of a synthesis of o-quinone-tetrathiafulvalene-o-quinone triads a novel facile route was developed. Sodium tetrathiooxalate was for the first time used as a synthon in functionalized TTF preparation. The main purpose of this work was to construct an organic compound, which on the one hand possesses a redox-amphotericity, and on the other hand can act as a bridging ligand in construction of linear, 2D and 3D assemblies. Properties of new acceptor donor acceptor ligand in respect to application as a building block for the molecular devices have been investigated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.07.038