(η(5)-C5H5)Co(Cl)(S2C2(COOMe)2)(CH2COOEt) | 247138-37-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (η(5)-C5H5)Co(Cl)(S2C2(COOMe)2)(CH2COOEt)
• 英文别名: chlorocobalt(2+);cyclopenta-1,3-diene;(Z)-3-(2-ethoxy-2-oxoethyl)sulfanyl-1,4-dimethoxy-1,4-dioxobut-2-ene-2-thiolate
• CAS: 247138-37-0；219137-07-2
• 化学式: C₁₅H₁₈ClCoO₆S₂
• 分子量: 452.883
• InChiKey: GPWWYMUIRKYNCB-IRYVOTIRSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η(5)-C5H5)Co(Cl)(S2C2(COOMe)2)(CH2COOEt) 、 sodium azide 以 二氯甲烷 、 水 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  Syntheses and reactivities of azido coordinated CpCo(dithiolene) complexes

  摘要：

  Azido coordinated dithiolene complexes [CpCo(N-3)(S2C2(CO2Me)(2)}(S-(CHRR2)-R-1)], where R-1, R-2 = H (4a); R-1 = H, R-2 = SiMe3 (4b); R-1 = H, R-2 = CO2Et (4c), were synthesized by the reactions of the corresponding Cl- coordinated precursors [CpCo(Cl)(S2C2(CO2Me)(2))(S-(CHRR2)-R-1)] (3a-3c) with sodium azide. The Cl- coordinated complex 3d (R-1, R-2 = CO2Me) did not produce any N-3(-) coordinated complexes but formed the (CRR2)-R-1-bridged alkylidene adduct [CpCo{S2C2(CO2Me)(2))((CRR2)-R-1)] (2d; R-1, R-2= CO2Me). The structure of 4a was determined by X-ray diffraction study. In the molecular structure of 4a, the coordinated N-3(-) ligand and (CHRR2)-R-1 group were located at the same side with respect to the dithiolene ring (syn form), although the corresponding Cl- precursor (3a; R-1, R-2 = H) was anti form. A structural conversion of syn/anti was conceivable during the Cl-/N-3(-) ligand exchange. Thermal (80 degrees C) and photochemical reactions (Hg lamp) of 4a-4c were performed. Among them, 4c was relatively well reacted compared with the others to form the (CRR2)-R-1-bridged alkylidene adduct (2c; R-1 = H, R-2 = CO2Et), followed by a formal HN3 elimination, and the reaction also produced non-adduct of the cobalt dithiolene complex [CpCo{S2C2(CO2Me)(2))] (1). The electrochemical 1e(-) reduction of 4c underwent a formal N-3(-) ligand elimination, and successive second reduction caused the (CHRR2)-R-1 group elimination or reformed the (CRR2)-R-1-bridged alkylidene adduct 2c. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.023
• 作为产物：
  描述：

  盐酸 、 (η(5)-C5H5)Co(S2C2(COOMe)2)(CHCOOEt) 以 二氯甲烷 为溶剂， 生成 (η(5)-C5H5)Co(Cl)(S2C2(COOMe)2)(CH2COOEt)
  参考文献：
  名称：

  (η5-Cyclopentadienyl)(Halo or Acido)(Substituted 1-Methylthio-κS-ethylene-2-thiolato)cobalt(III)：形成、立体异构体和异构化

  摘要：

  向 (η5-环戊二烯基)(1-亚甲硫基)-κC,κS-乙烯-2-硫醇基)钴 (III) 配合物 (2) 中添加质子酸导致三元钴硫杂环中的 Co-C 键断裂得到 (η5-环戊二烯基)(卤素或酸基)(1-甲硫基-κS-乙烯-2-硫醇基)钴 (III) 配合物 (3)。在结晶状态下，这些配合物相对于卤素（或酸）和连接到 S 的甲基或取代甲基具有顺式或反式构型。在某些情况下，配合物 3 存在于顺式和反式立体异构之间的平衡状态解决方案中的形式。在溶液中，很容易发生配位阴离子的交换。

  DOI：

  10.1246/bcsj.71.2645

文献信息

• Electrochemical Methods:  Analyses of Structures and Determination of Properties of the Cobaltadithiolene Derivatives [CpCoX(S₂C₂(COOMe)₂)(CHR¹R²)] (X = Cl, Br, and I)
  作者：Chikako Takayama、Keiko Takeuchi、Shin-ichi Ohkoshi、Masatsugu Kajitani、Akira Sugimori

  DOI：10.1021/om990181h

  日期：1999.9.1

  The electrochemical behavior of cobaltadithiolene derivatives [CpCoX(S2C2(COOMe)(2))((CHRR2)-R-1)] (X = Cl, Br, and I, (R-1, R-2) = (H, H), (H, COOEt), (COOMe, COOMe), and (H, SiMe3)) showed the easy elimination of halide, and the formation of an equilibrium system between these complexes and their corresponding cation complexes and eliminated halide. We report a methodology that proves the existence of this equilibrium in solutions together with their redox behavior according to the application and uses of electrochemical measurements.