N-[(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene]-2,6-diisopropylaniline | 395656-08-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene]-2,6-diisopropylaniline
• 英文别名: N-{(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene}-2,6-diisopropylaniline
• CAS: 395656-08-3
• 化学式: C₂₇H₃₇N₃
• 分子量: 403.611
• InChiKey: UKAVXOOFCZWXFT-IABPKXMJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  37.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride 、 N-[(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene]-2,6-diisopropylaniline 以 正丁醇 为溶剂， 以70%的产率得到[N-[(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene]-2,6-diisopropylaniline]cobalt(II) dichloride
  参考文献：
  名称：

  Oligomerisation of Ethylene to Linear α‐Olefins by new C _s ‐ and C ₁ ‐Symmetric [2,6‐Bis(imino)pyridyl]iron and ‐cobalt Dichloride Complexes

  摘要：

  AbstractA new family of Cs‐ and C1‐symmetric 2,6‐bis(imino)pyridyl ligands has been synthesised. These ligands, which differ from their known counterparts in the contemporaneous presence of alkyl and aryl substituent at the ketimine nitrogen atoms, form stable, five‐coordinate complexes with FeCl2 and CoCl2. All ligands and catalysts have been fully characterised both in the solid state and in solution. A single‐crystal X‐ray analysis of [CoCl2{2‐[CMe=N−(2,6‐dimethylphenyl)]‐6‐(CMe=N−C6H11)C5H3N}]·H2O shows the metal centre to adopt a highly distorted square‐pyramidal geometry. In combination with methylaluminoxane (MAO), both iron and cobalt compounds act as effective and selective (> 99%) catalysts for the oligomerisation of ethylene to a Schulz−Flory distribution of α‐olefins, with the α factor ranging from 0.61 to 0.91. The iron catalysts exhibit TOFs as high as 7·105 mol C2H4 (mol of cat × h)−1 and are much more active than their cobalt analogues. Experiments at different ethylene pressures with the iron catalysts showed that both the propagation rate and the chain transfer rate are first order in ethylene pressure. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390213
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 在 甲酸 作用下， 以 甲醇 为溶剂， 反应 32.0h， 生成 N-[(E)-1-[6-(cyclohexylethanimidoyl)-2-pyridinyl]ethylidene]-2,6-diisopropylaniline
  参考文献：
  名称：

  Oligomerisation of Ethylene to Linear α‐Olefins by new C _s ‐ and C ₁ ‐Symmetric [2,6‐Bis(imino)pyridyl]iron and ‐cobalt Dichloride Complexes

  摘要：

  AbstractA new family of Cs‐ and C1‐symmetric 2,6‐bis(imino)pyridyl ligands has been synthesised. These ligands, which differ from their known counterparts in the contemporaneous presence of alkyl and aryl substituent at the ketimine nitrogen atoms, form stable, five‐coordinate complexes with FeCl2 and CoCl2. All ligands and catalysts have been fully characterised both in the solid state and in solution. A single‐crystal X‐ray analysis of [CoCl2{2‐[CMe=N−(2,6‐dimethylphenyl)]‐6‐(CMe=N−C6H11)C5H3N}]·H2O shows the metal centre to adopt a highly distorted square‐pyramidal geometry. In combination with methylaluminoxane (MAO), both iron and cobalt compounds act as effective and selective (> 99%) catalysts for the oligomerisation of ethylene to a Schulz−Flory distribution of α‐olefins, with the α factor ranging from 0.61 to 0.91. The iron catalysts exhibit TOFs as high as 7·105 mol C2H4 (mol of cat × h)−1 and are much more active than their cobalt analogues. Experiments at different ethylene pressures with the iron catalysts showed that both the propagation rate and the chain transfer rate are first order in ethylene pressure. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390213

文献信息

• PROCESS FOR THE PREPARATION OF (CO) POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A BIS-IMINO-PYRIDINE COMPLEX OF COBALT
  申请人：Versalis S.p.A.

  公开号：EP2935362B1

  公开（公告）日：2021-01-20
• US9475897B2
  申请人：——

  公开号：US9475897B2

  公开（公告）日：2016-10-25
• [EN] PROCESS FOR THE PREPARATION OF (CO) POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A BIS-IMINO-PYRIDINE COMPLEX OF COBALT<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE (CO)POLYMÈRES DE DIÈNES CONJUGUÉS EN PRÉSENCE D'UN SYSTÈME CATALYTIQUE COMPRENANT UN COMPLEXE DE BIS-IMINO-PYRIDINE ET DE COBALT
  申请人：VERSALIS SPA

  公开号：WO2014097245A1

  公开（公告）日：2014-06-26

  Process for the preparation of (co) polymers of conjugated dienes which comprises polymerizing at least one conjugated diene in the presence of a catalytic system comprising at least one bis-imino-pyridine complex of cobalt having general formula (I) : wherein : R2 and R3, equal to or different from each other, represent a hydrogen atom; or they are selected from linear or branched C1-C20 preferably C1-C15, alkyl groups, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; R1 and R4, different from each other, represent a hydrogen atom; or they are selected from linear or branched C1-C20 preferably C1-C15, alkyl groups, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; arylalkyl groups; or R1 and R2 can be optionally bound to each other to form, together with the other atoms to which they are bound, a cycle containing from 3 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally substituted with linear or branched C1-C20, preferably C1-C15, alkyl groups, said cycle optionally containing other heteroatoms such as, for example, oxygen, sulfur, nitrogen, silicon, phosphorous, selenium; or R3 and R4, can be optionally bound to each other to form, together with the other atoms to which they are bound, a cycle containing from 3 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally substituted with linear or branched C1-C20, preferably C1-C15, alkyl groups, said cycle optionally containing other heteroatoms such as, for example, oxygen, sulfur, nitrogen, silicon, phosphorous, selenium; R5, R6 and R7, equal to or different from each other, represent a hydrogen atom, or they are selected from linear or branched C1-C20, preferably C1-C15, alkyl groups, optionally halogenated, cycloalkyl groups optionally substituted; aryl groups optionally substituted; arylalkyl groups; or R5 and R6, can be optionally bound to each other to form, together with the other atoms to which they are bound, a cycle containing from 3 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally substituted with linear or branched C1-C20, preferably C1-C15, alkyl groups, said cycle optionally containing other heteroatoms such as, for example, oxygen, -sulfur, nitrogen, silicon, phosphorous, selenium; or R6 and R7, can be optionally bound to each other to form, together with the other atoms to which they are bound, a cycle containing from 3 to 6 carbon atoms, saturated, unsaturated, or aromatic, optionally substituted with linear or branched C1- C20, preferably C1-C15, alkyl groups, said cycle optionally containing other heteroatoms such as, for example, oxygen, sulfur, nitrogen, silicon, phosphorous, selenium; X1 and X2, equal to or different from each other, represent a halogen atom such as, for example, chlorine, bromine, iodine; or they are selected from linear or branched C1-C20, preferably C1-C15, alkyl groups, -OCOR8 groups or -OR8 groups wherein R8 is selected from linear or branched C1-C20 / preferably C1-C15, alkyl groups.