N,N'-Bis-3-oxapentamethylen-formamidiniumdithiocarboxylat | 4030-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N,N'-Bis-3-oxapentamethylen-formamidiniumdithiocarboxylat
• 英文别名: 2,2-Dimorphorino-2-ethylium-1-dithioate；2-morpholin-4-ium-4-ylidene-2-morpholin-4-ylethanedithioate
• CAS: 4030-53-9
• 化学式: C₁₀H₁₆N₂O₂S₂
• 分子量: 260.381
• InChiKey: LVPUBMAMRVMWRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-Bis-3-oxapentamethylen-formamidiniumdithiocarboxylat 在 盐酸 作用下， 生成 4-(4-phenyl-[1,3]dithiole-2-carbonyl)-morpholine
  参考文献：
  名称：

  Cycloadditionen des formamidiniumcarbodithioat-systems synthese des 4-phenyl-1.3-dithiols

  摘要：

  DOI：

  10.1016/s0040-4039(00)90750-0
• 作为产物：
  描述：

  5-氯-1-苯基-1H-四唑 在 sulfur 作用下， 以 氯仿 为溶剂， 生成 N,N'-Bis-3-oxapentamethylen-formamidiniumdithiocarboxylat
  参考文献：
  名称：

  Zwitterionic formamidiniumdithiocarboxylates

  摘要：

  DOI：

  10.1016/s0040-4039(01)89192-9

文献信息

• Preparation of a New Class of Inner Salts by Formal Addition of Tosyl Nitrene to the Sulfur Atom of Inner Salts, α-Carbeniodithiocarboxylates
  作者：Juzo Nakayama、Liting Zhao、Takashi Otani、Yoshiaki Sugihara、Akihiko Ishii

  DOI：10.1246/cl.2000.1248

  日期：2000.11

  2,2-Bis(diethylamino)-2-ethylium-1-dithiocarboxylate (1a) was S-iminated by [N-(p-tolylsulfonyl)imino]phenyliodinane to provide a novel inner salt (4a) that formally possesses a thione-S-imide structure (>C=S=NR) as one of the canonical structures.

  2,2-双（二乙氨基）-2-乙基-1-二硫代羧酸盐（1a）被[N-（对甲苯磺酰基）亚氨基]苯基碘烷S-亚胺化，以提供一种新型内盐（4a），其形式上具有硫酮- S-酰亚胺结构 (>C=S=NR) 作为规范结构之一。
• Group 12 metal complexes with inner-salt, bis(N,N-disubstituted amino)carbeniumdithiocarboxylate. Asymmetric stretching vibration of thiocarboxylate and reduction potential as probes for the coordination mode
  作者：Tomoaki Sugaya、Takashi Fujihara、Akira Nagasawa、Kei Unoura

  DOI：10.1016/j.ica.2009.07.010

  日期：2009.10

  analysis, IR spectrum, and electrochemical measurements. The composition of metal and RL and the coordination mode, such as monodentate, chelate, and bridging or capping, depend on both the central metal ion and the substituent on the diaminocarbenium moiety. The useful criteria for the coordination mode are found to be the wavenumber of the –CS2 asymmetric stretching vibration in the solid state, and the

  摘要以高氯酸金属盐与RL在EtOH或CH2Cl2中反应制得了一系列具有双（N，N-二取代氨基）二硫代羧酸碳鎓盐的12族金属配合物，并通过X射线结构分析，IR光谱，和电化学测量。金属和RL的组成以及配位方式（例如单齿，螯合物以及桥连或封端）取决于中心金属离子和二氨基碳鎓部分上的取代基。配位模式的有用标准是–CS2固态不对称拉伸振动的波数，以及溶液中基于配体的还原电势。
• Preparation and Properties of a Huge, Crystalline, and Water-Soluble Compound (C₇₂H₁₃₂N₁₂Br₆S₁₂) That Possesses Six Carbenium Salt Units
  作者：Juzo Nakayama、Toyohiro Otani、Tomoko Tadokoro、Yoshiaki Sugihara、Akihiko Ishii

  DOI：10.1246/cl.2001.768

  日期：2001.8

  The reaction of hexakis(bromomethyl)benzene with six molar amounts of 2,2-bis(diethylamino)-2-ethylium-1-dithiocarboxylate furnished a huge, crystalline, and water-soluble compound (C72H132N12Br6S12, MW = 2030) that possesses six carbenium bromide units.

  六（溴甲基）苯与六摩尔量的 2,2-双（二乙基氨基）-2-乙基鎓-1-二硫代羧酸酯的反应提供了一种巨大的、结晶的、水溶性的化合物（C72H132N12Br6S12，MW = 2030），它具有六个溴化碳单位。
• Syntheses and Theoretical and Mechanistic Aspects of 1-Thia-2,4- and 1-Thia-3,4-diphosphole Formed from CS₂ and ^tBuCP and Crystal and Molecular Structure of the First 1-Thia-3,4-diphosphole Complex:  cis-[{PtCl₂(PEt₃)}₂(P₂SC₂^tBu₂)]
  作者：Sarah E. d'Arbeloff-Wilson、Peter B. Hitchcock、Steffen Krill、John F. Nixon、László Nyulászi、Manfred Regitz

  DOI：10.1021/ja992325p

  日期：2000.5.1

  The reaction of (BuCP)-Bu-1 with CS2 (or its ylide type complexes such as R3PCS2 (R = Et, Ph, cyclohexyl), (C5H10N)(2)CCS2, or (C4H8NO)(2)CCS2) gives a mixture of 3,5-di-tert-butyl-1-thia-2,4-diphosphole and 2,5-di-tert-butyl-1-thia-3,4-diphosphole, which were characterized by NMR spectroscopy. The latter was also characterized by the single-crystal X-ray structure determination of its bis(platinum(II)) complex [(PtCl2PEt3)(2)(mu-(P2SC2Bu2)-Bu-t)] This is the first structural characterization of a 1-thia-3,4-diphosphole ring. The mechanism of these reactions was explored by B3LTP/6-311+G** level quantum chemical calculations. The reaction pathway involves a phosphadithiolediylcarbene and its diphosphatetrathiafulvalene dimer as intermediates. Several other possible reaction pathways were ruled out.