2-(R)-N-(1-hydroxy-propyl)-ethylenedithio-tetrathiafulvalene-carboxamide | 732283-21-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 2-(R)-N-(1-hydroxy-propyl)-ethylenedithio-tetrathiafulvalene-carboxamide
• 英文别名: 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-N-[(2R)-1-hydroxypropan-2-yl]-1,3-dithiole-4-carboxamide
• CAS: 732283-21-5
• 化学式: C₁₂H₁₃NO₂S₆
• 分子量: 395.637
• InChiKey: XRVHIOQMUOLNSS-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  201
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(R)-N-(1-hydroxy-propyl)-ethylenedithio-tetrathiafulvalene-carboxamide 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 生成 (4R)-2-(ethylenedithio-tetrathiafulvalenyl)-4-methyl-2-oxazoline
  参考文献：
  名称：

  Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands

  摘要：

  通过 EDT-TTF-2-(4- 甲基)恶唑啉的锂盐与氯二苯基膦的反应，得到了新型氧化还原活性手性螯合配体 EDT-TTF-膦-恶唑啉，并合成了二氯化钯 (II) 配合物，确定了其结构特征。

  DOI：

  10.1039/b402877e
• 作为产物：
  描述：

  D-氨基丙醇 、 ethylenedithiotetrathiafulvalene acid chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 2-(R)-N-(1-hydroxy-propyl)-ethylenedithio-tetrathiafulvalene-carboxamide
  参考文献：
  名称：

  Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands

  摘要：

  通过 EDT-TTF-2-(4- 甲基)恶唑啉的锂盐与氯二苯基膦的反应，得到了新型氧化还原活性手性螯合配体 EDT-TTF-膦-恶唑啉，并合成了二氯化钯 (II) 配合物，确定了其结构特征。

  DOI：

  10.1039/b402877e

文献信息

• Tetrathiafulvalene-hydroxyamides and -oxazolines: hydrogen bonding, chirality, and a radical cation salt
  作者：Céline Réthoré、Marc Fourmigué、Narcis Avarvari

  DOI：10.1016/j.tet.2005.08.104

  日期：2005.11

  Racemic and enantiopure ethylenedithio-tetrathiafulvalene (EDT-TTF) derivatives featuring beta-hydroxyamide or oxazoline (OX) groups bearing methyl or isopropyl substituents have been synthesized starting from the corresponding amino alcohols. Crystal structure analysis shows in the case of the racemic methyl-beta-hydroxyamide donor the development of a unique hydrogen bond network, characterized by short C=O center dot center dot center dot H-O and N-H center dot center dot center dot O-H intermolecular distances. The enantiopure (S)-EDT-TTF-methyl-OX crystallizes in the monoclinic non-centrosymmetric space group P2(1), whereas the isopropyl counterparts, (R)-and (S)-EDT-TTF-isopropyl-OX, crystallize in the orthorhombic non-centrosymmetric space group P2(1)2(1)2(1). All of them adopt a s-trans conformation in which TTF and oxazoline units are coplanar. Electrocrystallization experiments with the racemic EDT-TTF-methyl-OX, in the presence of (nBu(4))(2)Mo6Cl14 as supporting electrolyte, afford a radical cation salt, formulated as [(+/-)-EDT-TTF-methyl-OX](2)Mo6Cl14, in which the donors associate in strong dimers, which further stack along the b direction to form quasi-homochiral helix-like ribbons. (c) 2005 Elsevier Ltd. All rights reserved.
• Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands
  作者：Céline Réthoré、Marc Fourmigué、Narcis Avarvari

  DOI：10.1039/b402877e

  日期：——

  Reaction of the lithium salt of EDT-TTF-2-(4-methyl)oxazoline with chloro-diphenylphosphine afforded the novel redox active chiral chelating ligands, EDT-TTF-phosphino-oxazolines, for which a palladium (II) dichloride complex was synthesized and structurally characterized.

  通过 EDT-TTF-2-(4- 甲基)恶唑啉的锂盐与氯二苯基膦的反应，得到了新型氧化还原活性手性螯合配体 EDT-TTF-膦-恶唑啉，并合成了二氯化钯 (II) 配合物，确定了其结构特征。