1,3-bis[((1,10-dioxa-4,7-dithiacyclotridecan-12-yl)methoxy)methyl]benzene

• 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: 1,3-bis[((1,10-dioxa-4,7-dithiacyclotridecan-12-yl)methoxy)methyl]benzene
• 英文别名: 12-[[3-(1,10-Dioxa-4,7-dithiacyclotridec-12-ylmethoxymethyl)phenyl]methoxymethyl]-1,10-dioxa-4,7-dithiacyclotridecane；12-[[3-(1,10-dioxa-4,7-dithiacyclotridec-12-ylmethoxymethyl)phenyl]methoxymethyl]-1,10-dioxa-4,7-dithiacyclotridecane
• 化学式: C₂₈H₄₆O₆S₄
• 分子量: 606.934
• InChiKey: OODIKSMKEITNRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  157
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  12-methylene-1,10-dioxa-4,7-dithiacyclotridecane 在 盐酸 、 锂硼氢 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 生成 1,3-bis[((1,10-dioxa-4,7-dithiacyclotridecan-12-yl)methoxy)methyl]benzene
  参考文献：
  名称：

  Structurally original oxathioethers macrocycles containing an exocyclic double-bond: synthesis, characterization, reactivity, and coordination

  摘要：

  New oxathioethers macrocycles have been synthesized and characterized. Each macrocycle consists in structurally defined ether and thioether moieties and an exocyclic double-bond (2a-c) or a hydroxymethyl group (3a-c). Macrocycles (2a-c) have been synthesized by reaction of dianions of thioethers dials (1a-c) with 3-chloro-2-chloromethylprop-1-ene. Their hydroboration/oxidation led to corresponding primary alcohols (3a-c). Structures of compounds (2b) and (3a) have been determined by X-ray diffraction. The reactivity of the hydroxyl group allowed the preparation of oxathioethers macrocycles bearing a polyether chain or a benzyl group (4a,b) and the synthesis of new bicyclic sandwich-type compounds (5a,b). The ability of these functionalized macrocycles to coordinate to palladium has been investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.06.082