[2-[2-(Sulfanylmethyl)phenoxy]phenyl]methanethiol | 1356966-99-8

• 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-[2-(Sulfanylmethyl)phenoxy]phenyl]methanethiol
• CAS: 1356966-99-8
• 化学式: C₁₄H₁₄OS₂
• 分子量: 262.397
• InChiKey: RYYDAYCRXGBLJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  11.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2-[2-(Sulfanylmethyl)phenoxy]phenyl]methanethiol 、 丁基三氯化锡 在 1,4-diazabicyclo-[2.2.2]-octane (DABCO) 作用下， 以 氯仿 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Study on the intramolecular transannular chalcogen–tin interactions in dithiastannecine compounds

  摘要：

  Dithiastannecine compounds of the type [{D(C6H4CH2S)(2)}(SnRR2)-R-1] with different donor atoms D were prepared, where D = O and R-1 = R-2 = Ph (4a); R-1 = Ph, R-2 = Cl (5a); R-1 = n-Bu, R-2 = Cl (6a); D = S and R-1 = R-2 = Ph (4b): R-1 = Ph, R-2 = Cl (5b); R-1 = n-Bu, R-2 = Cl (6b). The molecular structures of the monochloro compounds 5a, 51). 6a, and 6b were established by single-crystal X-ray diffraction and exhibit trigonal bipyramidal geometry at the tin atom with different degrees of distortion being due a D center dot center dot center dot Sn interaction. The Spiro compounds [{D(C6H4CH2S)(2)}(2)Sn] with D = O (7a) and D = S (7b) were also synthesized and structurally characterized; the molecular structure of 7a showed the tin atom with a bicapped tetrahedral geometry. The behavior of all tin compounds in solution was investigated by NMR spectroscopy revealing that the D center dot center dot center dot Sn interaction in solution was practically absent on the basis of the NMR chemical shifts values. DFT calculations with ADF package using VWN/QZ4P were carried out for the 6a and 6b compounds and showed that, in the topological analysis, bond critical points are present along the D center dot center dot center dot Sn direction. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.053
• 作为产物：
  描述：

  二苯醚 在 正丁基锂 、 四甲基乙二胺 、 氢溴酸 、 硫脲 作用下， 以 乙醇 、 正己烷 、 水 、 甲苯 为溶剂， 反应 124.0h， 生成 [2-[2-(Sulfanylmethyl)phenoxy]phenyl]methanethiol
  参考文献：
  名称：

  Study on the intramolecular transannular chalcogen–tin interactions in dithiastannecine compounds

  摘要：

  Dithiastannecine compounds of the type [{D(C6H4CH2S)(2)}(SnRR2)-R-1] with different donor atoms D were prepared, where D = O and R-1 = R-2 = Ph (4a); R-1 = Ph, R-2 = Cl (5a); R-1 = n-Bu, R-2 = Cl (6a); D = S and R-1 = R-2 = Ph (4b): R-1 = Ph, R-2 = Cl (5b); R-1 = n-Bu, R-2 = Cl (6b). The molecular structures of the monochloro compounds 5a, 51). 6a, and 6b were established by single-crystal X-ray diffraction and exhibit trigonal bipyramidal geometry at the tin atom with different degrees of distortion being due a D center dot center dot center dot Sn interaction. The Spiro compounds [{D(C6H4CH2S)(2)}(2)Sn] with D = O (7a) and D = S (7b) were also synthesized and structurally characterized; the molecular structure of 7a showed the tin atom with a bicapped tetrahedral geometry. The behavior of all tin compounds in solution was investigated by NMR spectroscopy revealing that the D center dot center dot center dot Sn interaction in solution was practically absent on the basis of the NMR chemical shifts values. DFT calculations with ADF package using VWN/QZ4P were carried out for the 6a and 6b compounds and showed that, in the topological analysis, bond critical points are present along the D center dot center dot center dot Sn direction. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.053

文献信息

• Anaerobically-curing compositions
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0051385A1

  公开（公告）日：1982-05-12

  Anaerobically-curing compositions are described comprising (A) a polymerizable monomer; (B) a halogen-containing compound as a first initiator component; (C) an amine, organic sulfimide or perfluoroalkyl sulfonanilide as a second initiator component; and (D) an inhibitor of free-radical polymerization. These compositions are particularly suitable as adhesives and may be formulated as thread- locking adhesives or may be modified by the addition of various modifying polymers to obtain desired properties such as increased viscosities or pressure-sensitive properties. Since the compositions of the present invention contain no peroxides or hydroperoxides, they may be stored for extended periods of time without the fear of initiator decomposition and may be manufactured without possibility of explosion.

  所述厌氧固化组合物包括：(A) 可聚合单体；(B) 作为第一引发剂成分的含卤化合物；(C) 作为第二引发剂成分的胺、有机亚硫酰亚胺或全氟烷基磺酰亚胺；以及 (D) 自由基聚合抑制剂。 这些组合物特别适合用作粘合剂，可配制成螺纹锁紧粘合剂，也可通过添加各种改性聚合物进行改性，以获得所需的特性，如增加粘度或压敏特性。 由于本发明的组合物不含过氧化物或氢过氧化物，因此可长期储存而不必担心引发剂分解，而且在生产过程中也不会发生爆炸。
• US4413108A
  申请人：——

  公开号：US4413108A

  公开（公告）日：1983-11-01
• US4528059A
  申请人：——

  公开号：US4528059A

  公开（公告）日：1985-07-09
• Study on the intramolecular transannular chalcogen–tin interactions in dithiastannecine compounds
  作者：Diego Martínez-Otero、José G. Alvarado-Rodríguez、Julián Cruz-Borbolla、Noemí Andrade-López、Thangarasu Pandiyan、Rafael Moreno-Esparza、Marcos Flores-Alamo、Jesús Cantillo-Castillo

  DOI：10.1016/j.poly.2011.11.053

  日期：2012.2

  Dithiastannecine compounds of the type [D(C6H4CH2S)(2)}(SnRR2)-R-1] with different donor atoms D were prepared, where D = O and R-1 = R-2 = Ph (4a); R-1 = Ph, R-2 = Cl (5a); R-1 = n-Bu, R-2 = Cl (6a); D = S and R-1 = R-2 = Ph (4b): R-1 = Ph, R-2 = Cl (5b); R-1 = n-Bu, R-2 = Cl (6b). The molecular structures of the monochloro compounds 5a, 51). 6a, and 6b were established by single-crystal X-ray diffraction and exhibit trigonal bipyramidal geometry at the tin atom with different degrees of distortion being due a D center dot center dot center dot Sn interaction. The Spiro compounds [D(C6H4CH2S)(2)}(2)Sn] with D = O (7a) and D = S (7b) were also synthesized and structurally characterized; the molecular structure of 7a showed the tin atom with a bicapped tetrahedral geometry. The behavior of all tin compounds in solution was investigated by NMR spectroscopy revealing that the D center dot center dot center dot Sn interaction in solution was practically absent on the basis of the NMR chemical shifts values. DFT calculations with ADF package using VWN/QZ4P were carried out for the 6a and 6b compounds and showed that, in the topological analysis, bond critical points are present along the D center dot center dot center dot Sn direction. (C) 2011 Elsevier Ltd. All rights reserved.