1,1',3,3'-tetra-p-tolyl-2,2'-biimidazolidinylidene | 38556-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1,1',3,3'-tetra-p-tolyl-2,2'-biimidazolidinylidene
• 英文别名: 1,3-Di-p-tolyl-2(1,3-di-p-tolyl-imidazolidinyliden-(2))imidazolidin；Bis-<1,3-di-p-tolyl-imidazolidinyliden-(2)>；bi[1,3-bis(4-tolyl)imidazolidin-2-ylidene]；bi(1,3-di-p-tolylimidazolin-2-ylidene)；1,3,1',3'-tetra-p-tolyl-octahydro-[2,2']biimidazolylidene；2-[1,3-Bis(4-methylphenyl)imidazolidin-2-ylidene]-1,3-bis(4-methylphenyl)imidazolidine
• CAS: 38556-77-3
• 化学式: C₃₄H₃₆N₄
• 分子量: 500.687
• InChiKey: PHEJENSGDCUUBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1',3,3'-tetra-p-tolyl-2,2'-biimidazolidinylidene 以 甲基环己烷 为溶剂， 生成
  参考文献：
  名称：

  Carbene complexes. Part 16. Synthesis and properties of NN′N″N‴-tetra-aryl-substituted electron-rich olefin-derived carbeneruthenium(II) complexes containing a spontaneously formed ortho-metallated-N-arylcarbene ligand; the crystal and molecular structures of [RuCl{CN(C₆H₄Me-4)CH₂CH₂NC₆H₃Me-4}(PEt₃)₂](6) and [Ru(CO)Cl{CN(C₆H₄Me-4)CH₂CH₂NC₆H₃Me-4}(PEt₃)₂](16)

  摘要：

  DOI：

  10.1039/dt9790001929

文献信息

• Carbene complexes. Part 9. Electron-rich olefin-derived carbene–molybdenum(<scp>0</scp>) and amidinium molybdate(<scp>0</scp>) complexes, and the crystal and molecular structure of cis-tetracarbonylbis(1,3-dimethylimidazolidin-2-ylidene)molybdenum(<scp>0</scp>), cis-[Mo(CO)₄{CN(Me)CH₂CH₂NMe}₂]
  作者：Michael F. Lappert、Peter L. Pye、George M. McLaughlin

  DOI：10.1039/dt9770001272

  日期：——

  yields cis-[Mo(CO)4(LEt)(LMe)], whereas [Mo(CO)5LMe)] with LEt2 affords also cis-[Mo(CO)4(LMe)2] and cis-[Mo(CO)4(LEt)2]. The redistribution reaction cis-[Mo(CO)4(LR)2]+[Mo(CO)6]⇌ 2[Mo(CO)5LR](R = Me or Et) is reversible. Other reactions of monocarbene complexes give cis-[Mo(CO)4(LR)Q][Q = C5H5N, PPh3, or P(C6H11)3, fac-[Mo(CO)3(LR)Q′2][Q′2=P(OMe)3}2 or diphos], or cis-[Mo(CO)4C(OMe)Me}LR]. ν(CN2) is

  碳烯-Mo o配合物是通过富电子烯烃[图形省略] R] 2，L R 2与（a）[Mo（CO）6 ] 产生[Mo（CO）5 L R ]或顺式-[Mo（CO）4（L R）2 ]（R = Me，Et或PhCH 2）（三碳烯配合物不稳定）}和（b）[Mo（CO）2（C 5 H 5- η）NO] 产生[Mo（CO）（C 5 H 5- η（L R）NO]（R = Me或p -tol）}}。相反，与[Mo（CO）3（C5 H 5- η）H]或[Mo（CO） 3（C 5 H 5- η）} 2 ]时，烯烃作为还原剂反应，生成钼酸（（ 0）络合物[HL R ] + [ Mo（CO） 3（C 5 H 5- η）] –或[L R 2 ] 2+ [Mo（CO） 3（C 5 H 5- η）] – 2（R = Me）。六元螯合烯烃[C [graphic省略] Me] 2，L' Me 2的定性行为相似，但反应活性较低，无法获得二卡宾-Mo
• Concerning the ‘Wanzlick equilibrium’
  作者：Yufa Liu、David M Lemal

  DOI：10.1016/s0040-4039(99)02161-9

  日期：2000.1

  according to a recent claim by Denk. In response, this system has been reinvestigated. When potassium hydride is present to preclude electrophilic catalysis, no crossing over occurs and starting tetraaminoethylenes are recovered unchanged. The original conclusion regarding the proposed equilibrium is thus reaffirmed.

  根据Denk最近的说法，在1960年代进行的一次负交叉实验排除了Wanzlick的四氨基乙烯-二氨基卡宾平衡，给出了错误的结果。作为响应，该系统已被重新调查。当存在氢化钾以防止亲电催化作用时，不会发生交叉反应，并且起始四氨基乙烯将被回收而未发生变化。因此，重申了有关拟议的平衡的原始结论。
• Carbene complexes. Part 18. Synthetic routes to electron-rich olefin-derived monocarbenerhodium(I) neutral and cationic complexes and their chemical and physical properties
  作者：Michael J. Doyle、Michael F. Lappert、Peter L. Pye、Pilar Terreros

  DOI：10.1039/dt9840002355

  日期：——

  or I), [Rh(CO)X(LR)(PPh3)](X = BH4 or ClO4), cis-[Rh(CO)2X(LR)](X = Cl or NO3), [Rh(cod)X(LR)](X = CH2SiMe3, ClO4, or NO3), cis-[Rh(cod)-(LR)(PPh3)][ClO4], and [Rh(CO)3(LR)][ClO4]. In many of the reactions some of these ligand displacements at RhI proceed without retention of stereochemistry and it is likely that the observed product is the thermodynamically preferred isomer. Other chemical properties

  富电子一般类型的烯烃[ [图形省略] R] 2（L - [R 2 ; R =甲基，乙基，pH值，4-MEC 6 ħ 4，4-MeOC 6 H ^ 4，或2-MeOC 6 H ^ 4）通过配体置换或氯化物桥裂解与各种铑（I）前体发生反应，以提供单碳鎓（I）配合物，例如[RhCl（L R）（PPh 3）2 ]，[Rh（cod）Cl（L）R）]或[Rh（CO）Cl（L R）（PPh 3）] [L R =[图省略] R，cod ＝环辛基-1，5-二烯]；类似地从烯烃L' Me 2获得了配合物[RhCl（L' Me）（PPh 2）X] [L' Me = [省略的图形] Me，X = CO或P​​Ph 3 ] 。从这些化合物中，可以通过配体（中性或阴离子）交换过程获得其他配合物：反式-[RhBr（L R）（PPh 3）2 ]，反式-[Rh（CO）（L R）（PPh 3）2 ]。 X（X = Br，Cl，ClO
• Process and catalyst composition for the preparation of linear alpha olefins
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0435367A1

  公开（公告）日：1991-07-03

  A catalyst composition, suitable for use in the oligomerization of ethene to substantially linear alpha olefins, comprises a zirconium or hafnium compound, an aluminium compound and a compound of the general formula (I) in which each R, which may be the same or different, represents an optionally substituted alkyl, cycloalkyl, aralkyl or aryl group, or groups R on cis nitrogen atoms may together form an aliphatic, cycloaliphatic or aromatic bridging group which may contain heteroatoms; and each R¹, which may be the same or different, represents an optionally substituted alkyl, cycloalkyl, aralkyl or aryl group, or groups R¹ on adjacent nitrogen atoms may together form an aliphatic, cycloaliphatic or aromatic bridging group which may contain hetero atoms; or adjacent groups R and R¹ together with the nitrogen to which they are attached may form an optionally substituted heterocyclic ring.

  一种适用于将乙烯低聚为基本线性α-烯烃的催化剂组合物，由锆或铪化合物、铝化合物和通式 (I) 的化合物组成 其中每个 R（可以相同或不同）代表任选取代的烷基、环烷基、芳烷基或芳基，或顺式氮原子上的基团 R 可共同形成脂肪族、环脂族或芳香族桥基，桥基可含有杂原子；每个 R¹（可以相同或不同）代表一个任选取代的烷基、环烷基、芳基或芳基，或相邻氮原子上的基团 R¹可共同形成一个可含有杂原子的脂肪族、环脂族或芳香族桥基；或相邻基团 R 和 R¹连同它们所连接的氮可形成一个任选取代的杂环。
• Nucleophilic carbenes and the wanzlick equilibrium: A reinvestigation
  作者：Michael K. Denk、Ken Hatano、Martin Ma

  DOI：10.1016/s0040-4039(99)00164-1

  日期：1999.3

  Contrary to earlier studies, mixtures of enetetramines A=A and B=B readily exchange their carbene units upon heating (100 - 175 degrees C) to give the cross-over olefins A=B. The absence of such exchange reactions has formerly been used as evidence against the dissociation of enetetramines into free carbenes by Lemal et al. and Winberg et al. (C) 1999 Elsevier Science Ltd. All rights reserved.