1,2,6-trithiacyclononane | 6573-10-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: 1,2,6-trithiacyclononane
• 英文别名: 1,2,6-Trithionane
• CAS: 6573-10-0
• 化学式: C₆H₁₂S₃
• 分子量: 180.359
• InChiKey: AFPVNPQULJLFIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  diiron nonacarbonyl 、 1,2,6-trithiacyclononane 以 四氢呋喃 为溶剂， 以14.1%的产率得到bis(thiolatopropylene sulfide) pentacarbonyldiiron
  参考文献：
  名称：

  Reactions of 1,2,4‐Trithiolane, 1,2,5‐Trithiepane, 1,2,5‐Trithiocane and 1,2,6‐Trithionane with Nonacarbonyldiiron: Structural Determination and Electrochemical Investigation

  摘要：

  AbstractThe reactions of 1,2,4‐trithiolane (1), 1,2,5‐trithiepane (6), 1,2,5‐trithiocane (12) and 1,2,6‐trithionane (10) with nonacarbonyldiiron (2) have been investigated. A novel diiron model complex, which can serve as a model complex of the active site of [Fe‐only]‐hydrogenase, was formed from the reaction with 1. In contrast, the reaction of 6 with 2 afforded the trinuclear iron cluster 7. Interestingly, the diiron compound 11 was obtained with 1,2,6‐trithionane (10), which can be attributed to the more flexible dithiolato ligand 10. Furthermore, the reaction with 1,2,5‐trithiocane (12) yielded the trinuclear cluster 13. X‐ray structure analyses were performed on compounds 3, 7, 10, 11 and 13. The reactions of the reduced iron species 3 with pivalic acid (HP) were studied electrochemically. The most significant features of the experimental cyclic voltammograms (CVs) could be reproduced by digital simulation on the basis of a reaction scheme that includes both the coordination of HP as well as the catalytic generation of hydrogen. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

  DOI：

  10.1002/ejic.200700049
• 作为产物：
  描述：

  3,3'-二氯二丙硫醚 在 sodium hydroxide 、 碘 、 三乙胺 、 硫脲 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 47.0h， 生成 1,2,6-trithiacyclononane
  参考文献：
  名称：

  Synthesis of Medium Ring Disulfides by Titrimetry; An Improvement on High Dilution Techniques

  摘要：

  DOI：

  10.1055/s-1981-29481

文献信息

• GOODROW M. H.; MUSKER W. K., SYNTHESIS (BRD), 1981, NO 6, 457-459
  作者：GOODROW M. H.、 MUSKER W. K.

  DOI：——

  日期：——
• Reactions of 1,2,4‐Trithiolane, 1,2,5‐Trithiepane, 1,2,5‐Trithiocane and 1,2,6‐Trithionane with Nonacarbonyldiiron: Structural Determination and Electrochemical Investigation
  作者：Jochen Windhager、Manfred Rudolph、Silvio Bräutigam、Helmar Görls、Wolfgang Weigand

  DOI：10.1002/ejic.200700049

  日期：2007.6

  AbstractThe reactions of 1,2,4‐trithiolane (1), 1,2,5‐trithiepane (6), 1,2,5‐trithiocane (12) and 1,2,6‐trithionane (10) with nonacarbonyldiiron (2) have been investigated. A novel diiron model complex, which can serve as a model complex of the active site of [Fe‐only]‐hydrogenase, was formed from the reaction with 1. In contrast, the reaction of 6 with 2 afforded the trinuclear iron cluster 7. Interestingly, the diiron compound 11 was obtained with 1,2,6‐trithionane (10), which can be attributed to the more flexible dithiolato ligand 10. Furthermore, the reaction with 1,2,5‐trithiocane (12) yielded the trinuclear cluster 13. X‐ray structure analyses were performed on compounds 3, 7, 10, 11 and 13. The reactions of the reduced iron species 3 with pivalic acid (HP) were studied electrochemically. The most significant features of the experimental cyclic voltammograms (CVs) could be reproduced by digital simulation on the basis of a reaction scheme that includes both the coordination of HP as well as the catalytic generation of hydrogen. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• Synthesis of Medium Ring Disulfides by Titrimetry; An Improvement on High Dilution Techniques
  作者：Marvin H. Goodrow、W. Kenneth Musker

  DOI：10.1055/s-1981-29481

  日期：——