1,4-bis(3,5-di-tert-butylphenyl)-1,4-diaza-1,3-butadiene | 404373-30-4

• 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: 1,4-bis(3,5-di-tert-butylphenyl)-1,4-diaza-1,3-butadiene
• 英文别名: (3,5-tBu2C6H3)NCHCHN(C6H3tBu2-3,5)；(1E,2E)-N~1~,N~2~-Bis(3,5-di-tert-butylphenyl)ethane-1,2-diimine；N,N'-bis(3,5-ditert-butylphenyl)ethane-1,2-diimine
• CAS: 404373-30-4
• 化学式: C₃₀H₄₄N₂
• 分子量: 432.693
• InChiKey: ICAXOKMINGHKRB-UHFFFAOYSA-N

物化性质

• 沸点：
  508.5±60.0 °C(Predicted)
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-bis(3,5-di-tert-butylphenyl)-1,4-diaza-1,3-butadiene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 36.0h， 生成 N,N'-bis(3,5-di-tert-butylphenyl)ethylenediamine
  参考文献：
  名称：

  WO2007/75427

  摘要：

  公开号：
• 作为产物：
  描述：

  草酸醛 、 3,5-二叔丁基苯胺 以 水 、 异丙醇 为溶剂， 反应 7.0h， 生成 1,4-bis(3,5-di-tert-butylphenyl)-1,4-diaza-1,3-butadiene
  参考文献：
  名称：

  WO2007/75427

  摘要：

  公开号：

文献信息

• C−H Bond Activation by Cationic Platinum(II) Complexes:  Ligand Electronic and Steric Effects
  作者：H. Annita Zhong、Jay A. Labinger、John E. Bercaw

  DOI：10.1021/ja011189x

  日期：2002.2.1

  benzene with cationic Pt(II) complexes bearing 3,5-disubstituted aryl diimine ligands, the rate-determining step is C [bond] H activation, whereas for the more sterically crowded analogues with 2,6-dimethyl-substituted aryl groups, benzene coordination becomes rate-determining. This switch is manifested in distinctly different isotope scrambling and kinetic deuterium isotope effect patterns. The more electron-rich

  已经制备了一系列双（芳基）二亚胺连接的 Pt(II) 与各种取代芳基的甲基配合物。阳离子配合物 [(ArN=CR [bond] CR=NAr)PtMe(L)](+)[BF(4)](-) (Ar = 芳基；R = H，CH(3)；L = 水，三氟乙醇）在大约室温下在三氟乙醇溶剂中与苯平稳反应，通过 Pt(IV)-甲基-苯基-氢化中间体产生甲烷和相应的苯基 Pt(II) 阳离子。甲基取代苯的反应产物表明，芳香族比苄基 C [键] H 活化具有固有的反应性偏好，然而，这可能会被空间效应所覆盖。对于苯与带有 3,5-二取代芳基二亚胺配体的阳离子 Pt(II) 配合物的反应，决定速率的步骤是 C [键] H 活化，而对于具有 2 的空间上更拥挤的类似物，6-二甲基取代芳基，苯配位成为定速。这种转换表现为明显不同的同位素扰乱和动力学氘同位素效应模式。根据相应羰基阳离子复合物的 CO 伸缩频率测定，配体越富电子，C
• Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins
  申请人：Berlin Jacob

  公开号：US20070282148A1

  公开（公告）日：2007-12-06

  The invention relates to ruthenium alkylidene complexes having an N-heterocyclic carbene ligand comprising a 5-membered heterocyclic ring having a carbenic carbon atom and at least one nitrogen atom contained within the 5-membered heterocyclic ring, wherein the nitrogen atom is directly attached to the carbenic carbon atom and is substituted by a phenyl ring, and wherein the phenyl ring has a hydrogen at either or both ortho positions and is substituted at at least one ortho or meta position. The invention also relates to an olefin metathesis reactions and particularly to the preparation of tetra-substituted cyclic olefins via a ring-closing metathesis.

  本发明涉及具有N-杂环卡宾配体的钌烷基烯配合物，包括一个含有卡宾碳原子和至少一个氮原子的5元杂环环的杂环卡宾配体，其中氮原子直接连接到卡宾碳原子，并被苯环取代，苯环在两个邻位或一个邻位和一个间位处有氢原子，并在至少一个邻位或间位被取代。本发明还涉及烯烃交换反应，特别是通过环闭合交换反应制备四取代环烯烃。
• ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS
  申请人：BERLIN Jacob

  公开号：US20120123133A1

  公开（公告）日：2012-05-17

  The invention relates to ruthenium alkylidene complexes having an N-heterocyclic carbene ligand comprising a 5-membered heterocyclic ring having a carbenic carbon atom and at least one nitrogen atom contained within the 5-membered heterocyclic ring, wherein the nitrogen atom is directly attached to the carbenic carbon atom and is substituted by a phenyl ring, and wherein the phenyl ring has a hydrogen at either or both ortho positions and is substituted at at least one ortho or meta position. The invention also relates to an olefin metathesis reactions and particularly to the preparation of tetra-substituted cyclic olefins via a ring-closing metathesis.

  本发明涉及一种具有N-杂环卡宾配体的钌烯烃配合物，其中该配体包含一个5元杂环环，该环具有一个卡宾烯碳原子和至少一个氮原子，所述氮原子直接连接在卡宾烯碳原子上，并被苯环取代，所述苯环在其两个邻位上具有氢原子，并在至少一个邻位或间位上被取代。本发明还涉及烯烃交换反应，特别是通过环闭合烯烃交换反应制备四取代环状烯烃。
• Controlled Benzylation of α-Diimine Ligands Bound to Zirconium and Hafnium: An Alternative Method for Preparing Mono- and Bis(amido)M(CH₂Ph)_<i>n</i> (<i>n</i> = 2, 3) Complexes as Catalyst Precursors for Isospecific Polymerization of α-Olefins
  作者：Hayato Tsurugi、Ryuji Ohnishi、Hiroshi Kaneko、Tarun K. Panda、Kazushi Mashima

  DOI：10.1021/om800880n

  日期：2009.2.9

  Reactions of M(CH2Ph)(4)(M = Zr, Hf) with various alpha-diimine ligands afforded amido-imino or diamido complexes through intramolecular benzylation of the C=N bonds of the ligands. Selective benzylation of alpha-diimine ligands, i.e., single- and double-benzylation, was accomplished by varying the substituent on the nitrogen atom of the imine moiety or the ligand backbone. Kinetic analysis of the second benzylation step indicated that the benzyl group migrated from the metal center to the C=N moiety via an ordered four-center transition state (Delta S-double dagger = -3(4) eu for 3a; -5(9) eu for 5b). Upon activation with B(C6F5)(3) or [Ph3C] [B(C6F5)(4)], amido-imino (3, 6) and diamido (2, 4) complexes became active catalysts for 1-hexene polymerization, and the resulting poly(1-hexene)s had moderate isotacticity ([mmmm], up to 90%). Polymerization of vinylcyclohexane was also catalyzed with moderate activity to give highly isotactic poly(vinylcyclohexane) ([mmmm] > 95%) via a chain-end control mechanism.
• US8008224B2
  申请人：——

  公开号：US8008224B2

  公开（公告）日：2011-08-30