[4-[[2-[[4-(Sulfanylmethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methanethiol | 170651-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [4-[[2-[[4-(Sulfanylmethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methanethiol
• CAS: 170651-99-7
• 化学式: C₂₂H₂₂O₂S₂
• 分子量: 382.547
• InChiKey: MTGKACCRCHMBJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-[[2-[[4-(Sulfanylmethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methanethiol 在 吡啶 、 氢氧化钾 、 氯化亚砜 作用下， 以 乙醇 、 二氯甲烷 、 苯 为溶剂， 反应 7.0h， 生成 Methyl 18,27-dioxa-12,33-dithiaheptacyclo[33.2.2.27,10.214,17.228,31.12,6.020,25]hexatetraconta-1(37),2(46),3,5,7(45),8,10(44),14(43),15,17(42),20,22,24,28,30,35,38,40-octadecaene-46-carboxylate
  参考文献：
  名称：

  Synthesis of Cyclophanes with Intra-Annular Functionality and Cage Structure

  摘要：

  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.

  DOI：

  10.1021/jo950957y
• 作为产物：
  描述：

  1,2-双[[4-(溴甲基)苯氧基]甲基]苯 在 硫脲 、 氢氧化钾 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 以65%的产率得到[4-[[2-[[4-(Sulfanylmethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methanethiol
  参考文献：
  名称：

  环内连接双环环烷的合成与络合研究

  摘要：

  用二硫代硫酸钠还原衍生自2,6-双（氯甲基）苯醌和合适的二硫醇的环烷，然后进一步与各种二溴化物偶合，得到环内连接的双环环烷，与TCNQ和TCNE形成电荷转移配合物。

  DOI：

  10.1016/j.tet.2006.07.064

文献信息

• Synthesis and Molecular Transformations of Functionalised Cyclophanes with Large Cavity
  作者：Arunachalam Kannan、Perumal Rajakumar

  DOI：10.1080/00397919508011438

  日期：1995.10

  Cyclophanes of the type 1 & 3 are obtained by the coupling of suitable dithiol with corresponding dibromide under high dilution technique in the presence of KOH in benzene or toluene-ethanol. Few molecular transformations have been effected on the cyclophanes 1 and 2.
• 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.
• Synthesis and complexation studies of intra annularly linked bicyclic cyclophanes
  作者：Perumal Rajakumar、Rajagopal Kanagalatha

  DOI：10.1016/j.tet.2006.07.064

  日期：2006.10

  The cyclophanes derived from 2,6-bis(chloromethyl)benzoquinone and suitable dithiols were reduced with sodium dithionate and then further coupled with various dibromides to give intra annularly linked bicyclic cyclophanes, which forms charge transfer complexes with TCNQ and TCNE.

  用二硫代硫酸钠还原衍生自2,6-双（氯甲基）苯醌和合适的二硫醇的环烷，然后进一步与各种二溴化物偶合，得到环内连接的双环环烷，与TCNQ和TCNE形成电荷转移配合物。