ClCo(III)(chgH)(dpgH)Py | 352354-06-4

• 英文名称: ClCo(III)(chgH)(dpgH)Py
• CAS: 352354-06-4
• 化学式: C₂₅H₂₅ClCoN₅O₄
• 分子量: 553.951
• InChiKey: XMCJMXHSAWBWAZ-ZVXPMQDNSA-K

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：

  4-氯氯苄 、 ClCo(III)(chgH)(dpgH)Py 在 NaOH 、 NaBH₄ 作用下， 以 甲醇 、 水 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Organocobaloximes with mixed dioxime equatorial ligands: a convenient one-pot synthesis. X-ray crystal structures of BnCoIII(dmgH)(dpgH)Py and BnCOIII(chgH)(dpgH)py

  摘要：

  A simple and general route to the synthesis of organocobaloxime with mixed dioxime ligands, RCo(dmgH)(dpgH)Py and RCo(chgH)(dpgH)Py, has been described. The C-13-NMR chemical shifts have been analysed to see whether one dioxime wing has any effect on the other dioxime wing. The first crystal structure of an organocobaloxime with mixed dioxime ligand in the same complex, BnCo(dmgH)(dpgH)Py and BnCo(chgH)(dpgH)Py, is reported. (C) 2001 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(01)00731-8
• 作为产物：
  描述：

  吡啶 、 cobalt(II) chloride hexahydrate 、 1,2-环已二酮二肟 、 二联苯乙二醛肟 以 丙酮 为溶剂， 以205 %的产率得到[Co(diphenylglyoximato)₂Cl(pyridine)]
  参考文献：
  名称：

  Organocobaloximes with mixed dioxime equatorial ligands: a convenient one-pot synthesis. X-ray crystal structures of BnCoIII(dmgH)(dpgH)Py and BnCOIII(chgH)(dpgH)py

  摘要：

  A simple and general route to the synthesis of organocobaloxime with mixed dioxime ligands, RCo(dmgH)(dpgH)Py and RCo(chgH)(dpgH)Py, has been described. The C-13-NMR chemical shifts have been analysed to see whether one dioxime wing has any effect on the other dioxime wing. The first crystal structure of an organocobaloxime with mixed dioxime ligand in the same complex, BnCo(dmgH)(dpgH)Py and BnCo(chgH)(dpgH)Py, is reported. (C) 2001 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(01)00731-8

文献信息

• Inorganic cobaloximes with mixed dioxime equatorial ligands: a convenient one pot synthesis and cis influence studies: X-ray crystal structures of N3CoIII(dmgH)(dpgH)Py and N3CoIII(chgH)(dpgH)Py
  作者：B.D Gupta、Usha Tiwari、T Barclay、W Cordes

  DOI：10.1016/s0022-328x(01)00817-8

  日期：2001.6

  A simple and general route to the synthesis of cobaloxime with mixed dioxime ligands, XCo(L)(L′)Py, L,L′=dmgH/dpgH and chgH/dpgH; X=Cl, Br, NO2, N3, has been described. These compounds are reported for the first time. The synthesis is confirmed by the X-ray structures of N3Co(dmgH)(dpgH)Py and N3Co(chgH)(dpgH)Py. The cis and trans effects on these complexes and on XCo(L)2Py (L=dmgH, chgH, dpgH; X=Cl

  一种简单且通用的合成带有混合二肟肟配体XCo（L）（L'）Py，L，L'= dmgH / dpgH和chgH / dpgH的钴肟的途径; 已经描述了X ＝ Cl，Br，NO 2，N 3。这些化合物是首次报道。N 3 Co（dmgH）（dpgH）Py和N 3 Co（chgH）（dpgH）Py的X射线结构证实了合成。已通过1 H-，13 C-NMR研究了这些配合物和XCo（L）2 Py（L = dmgH，chgH，dpgH; X = Cl，Br，NO 2，N 3）配合物的顺式和反式作用，紫外线和X射线。对于一系列X配体，在1 H之间存在明显的趋势，观察到了赤道和轴向配体以及Co-dioxime CT谱带的13 C化学位移。对13 C值和X射线数据的分析表明，在混合的二肟配合物中，一个二肟翅膀会影响另一个二肟翅膀。
• Organocobaloximes with Mixed Dioxime Equatorial Ligands:  A Convenient One-Pot Synthesis. X-ray Structures and Cis−Trans Influence Studies
  作者：B. D. Gupta、Veena Singh、R. Yamuna、T. Barclay、W. Cordes

  DOI：10.1021/om030089s

  日期：2003.6.1

  A simple and general route to the synthesis of organocobaloxime with mixed dioxime ligands, RCo(L)(dpgH)Py [L = dmgH and chgH] (R = Me-Dec), has been described. The crystal structure of four complexes, ClCo(L)(dpgH)Py and MeCo(L)(dpgH)Py [L = dmgH and chgH], is reported. The structural study reveals that both the nonclassical C−H···O as well as the classical O−H···O intermolecular hydrogen bonding

  已经描述了一种简单且通用的合成带有混合二氧肟配体RCo（L）（dpgH）Py [L = dmgH和chgH]（R = Me-Dec）的有机钴肟的途径。报道了四种配合物ClCo（L）（dpgH）Py和MeCo（L）（dpgH）Py [L = dmgH and chgH]的晶体结构。结构研究表明，既存在非经典CHH··O，也存在经典OHH···O分子间氢键，并导致一维二聚或聚合物结构的形成。轴向吡啶配体中的1 H和13 C NMR配位位移显示与赤道配体的化学位移具有明显的相关性。这些相关性可以借助振铃电流模型来合理化。