3,5-bis(mercaptomethyl)pyridine | 116115-73-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3,5-bis(mercaptomethyl)pyridine
• 英文别名: 3,5-Di(mercaptomethyl)pyridine；[5-(sulfanylmethyl)pyridin-3-yl]methanethiol
• CAS: 116115-73-2
• 化学式: C₇H₉NS₂
• 分子量: 171.287
• InChiKey: LUPDWXICENTGHY-UHFFFAOYSA-N

物化性质

• 沸点：
  329.5±32.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  14.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-bis(mercaptomethyl)pyridine 在 氢氧化钾 、 作用下， 生成 <2>(1,3)Benzeno<2>(3,5)pyridinophane
  参考文献：
  名称：

  Kawashima, Toshihide; Tohda, Yasuo; Ariga, Masahiro, Heterocycles, 1985, vol. 23, # 1, p. 180

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二(氯甲基)吡啶 在 sodium hydroxide 、 硫脲 作用下， 生成 3,5-bis(mercaptomethyl)pyridine
  参考文献：
  名称：

  The Synthesis and Characterization of a Pyridine-Linked Cyclodextrin Dimer

  摘要：

  A cyclodextrin dimer has been synthesized in an overall 29% yield from beta-cyclodextrin. This compound contains a pyridine bridge that links the secondary faces of two cyclodextrin units. A complete H-1 and C-13 NMR analysis was performed using a combination of one- and two-dimensional NMR pulse sequences. The results are consistent with the notion that each beta-cyclodextrin moiety contains seven spectrally unique sugar residues. In addition, an analysis of key coupling constants suggest that the modified sugar moiety in the individual cyclodextrin units has undergone a chair inversion. This analysis represents the first complete NMR characterization of a cyclodextrin dimer. Finally, the binding properties of the cyclodextrin dimer for several guest molecules are reported. To the best of our knowledge, the association constant obtained with ethyl orange (1.6 +/- 0.2 x 10(7)) represents the largest formation constant ever reported for a dye molecule with a cyclodextrin-based host.

  DOI：

  10.1021/jo00097a015

文献信息

• Conformation of Dithia[3.3](1,3)azulenopyridinophanes
  作者：Yoshimasa Fukazawa、Emi Ohta、Tatsuya Nakabai、Shuji Usui

  DOI：10.1246/cl.1987.2343

  日期：1987.12.5

  The preferred conformations and the dynamic processes of the title compounds have been determined by variable temperature 1H-NMR analysis. Molecular mechanics calculations suggested the detail course of the conformational interconversion.

  标题化合物的优势构象及其动态过程已通过变温1H-NMR分析确定。分子力学计算揭示了构象转换的具体过程。
• CARBON MONOXIDE REMOVAL AGENT
  申请人：The Doshisha

  公开号：EP2402017A1

  公开（公告）日：2012-01-04

  The present invention provides a carbon monoxide removal agent that can be easily administered to a patient by injection or orally. The carbon monoxide removal agent of the present invention contains, as an active ingredient, an inclusion complex in which a cyclodextrin dimer represented by chemical formula (1) below includes a water-soluble metalloporphyrin. (In the formula, m represents either of number 1 or 2 and n represents any of number 1, 2, or 3.)

  本发明提供了一种一氧化碳清除剂，可以方便地通过注射或口服给病人使用。本发明的一氧化碳清除剂含有一种包合物作为活性成分，在该包合物中，由以下化学式（1）表示的环糊精二聚体包括水溶性金属卟啉。(式中，m 代表数字 1 或 2 中的任一个，n 代表数字 1、2 或 3 中的任一个）。
• Modifiable polyunsaturated polymers and processes for their preparation
  申请人：Parthiban Anbanandam

  公开号：US20060189774A1

  公开（公告）日：2006-08-24

  The present invention relates to modifiable linear polyunsaturated polymers and processes for preparing the same comprising reacting solely at least one bifunctional nucleophilic compound with at least one α-functional unsaturated monomer. The at least one bifunctional nucleophilic compound of the invention comprises two nucleophiles independently selected from the group consisting of C, N, O, S and Se. The at least one α-functional unsaturated monomer of the invention comprises two leaving groups L 1 and L 2 , wherein at least one of the leaving groups L 1 and L 2 of the at least one α-functional unsaturated monomer is part of the nonaromatic unsaturated structure C═C—C α -L. The double bond of said α-functional unsaturated monomer is maintained in the polyunsaturated polymer.

  本发明涉及可改性线性多不饱和聚合物以及制备该聚合物的工艺，包括仅使至少一种双官能团亲核化合物与至少一种α官能团不饱和单体反应。本发明的至少一种双官能团亲核化合物包括两个独立选自 C、N、O、S 和 Se 组的亲核物。本发明的至少一种 α-官能团不饱和单体包括两个离去基团 L 1 和 L 2 其中至少一个离去基团 L 1 和 L 2 的至少一个离去基团 L 1 和 L 2 是非芳香族不饱和结构 C═C-C α -L.所述 α-官能团不饱和单体的双键保留在多不饱和聚合物中。
• Self-assembled coordination cage derived from small-sized pyridinophane
  作者：Akihiko Tsuge、Ayumi Matsubara、Tetsuji Moriguchi、Yoshihisa Sei、Kentaro Yamaguchi

  DOI：10.1016/j.tetlet.2006.07.007

  日期：2006.9

  The dithia[3.3]pyridinophane consisting of two pyridine rings has been found out to assume the syn-structure by the X-ray crystallography, meaning the two nitrogen atoms point in the same direction. From this cyclophane and cis-protected palladium(II), the self-assembled coordination molecular cage has been constructed. (c) 2006 Elsevier Ltd. All rights reserved.
• Przybilla, Klaus Juergen; Voegtle, Fritz, Chemische Berichte, 1989, vol. 122, p. 347 - 356
  作者：Przybilla, Klaus Juergen、Voegtle, Fritz

  DOI：——

  日期：——