N,N-Dicyclohexyl-benzamidin | 33345-18-5

• 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,N-Dicyclohexyl-benzamidin
• 英文别名: N,N-dicyclohexylbenzamidine；N,N-dicyclohexylbenzenecarboximidamide
• CAS: 33345-18-5
• 化学式: C₁₉H₂₈N₂
• 分子量: 284.445
• InChiKey: AZGAGKKQOPPKNA-UHFFFAOYSA-N

物化性质

• 沸点：
  396.1±25.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  27.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲基溴化镁 、 ammonium chloride 、 二环己胺 以 乙醚 、 水 、 苯甲腈 为溶剂， 以19.5g (69%)的产率得到N,N-Dicyclohexyl-benzamidin
  参考文献：
  名称：

  Process for the preparation of a metal-organic compound comprising a spectator ligand

  摘要：

  本发明涉及一种用于生产金属有机化合物的方法，其符合以下公式1：MALj⁢Yr⁢Xp-(n+v+r⁢Rn其中：M是3-13族或镧系元素的金属，p是金属M的化合价；A代表一个阴离子配体，其化合价v为1或2；Y是由以下公式2表示的一个观察配体：其中观察配体通过亚胺氮原子与金属M共价结合，Sub1是一个取代基，包括一个14族原子，通过Sub1与亚胺碳原子结合，Sub2是一个取代基，包括一个15-16族原子，通过Sub2与亚胺碳原子结合，sub1和sub2可能连接形成一个环系统，r是大于0的整数，L是一个可选的中性路易斯碱性配体，j是表示中性配体L数量的整数，X是卤素，R是一个阴离子配体，根据公式3，MALj⁢Xp-vis与烷基化剂接触，从而形成前体物质，其中至少一个卤素原子被一个阴离子配体R取代，该配体可以独立选择自烷基、芳基烷基、芳基或其组合，随后将该前体物质与符合公式2的亚胺接触。

  公开号：

  EP1764376A1

文献信息

• [EN] METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS<br/>[FR] COMPLEXE MÉTALLIQUE COMPRENANT DES LIGANDS DE CYCLOPENTADIÉNYLE FUSIONNÉS PAR AMIDINE ET INDOLE
  申请人：ARLANXEO NETHERLANDS BV

  公开号：WO2019201838A1

  公开（公告）日：2019-10-24

  A metal complex of the formula (1) InCyLMZp (1), wherein M is a group 4 metal Z is an anionic ligand, p is number of 1 to 2, preferably 2, InCy is an indole fused cyclopentadienyl-type ligand of the formula (2) wherein R1 means for each index m individually a C1-C4-alkyl that substitutes a hydrogen atom of the benzene ring, m is a number of 0 to 4, preferably 0 to 2, in particular 0, R2 means C1-C10-alkyl, C5- C10-cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted C6-C10-aryl, in particular C1-C4-20 alkyl substituted phenyl, more preferably methyl, phenyl or di-C1-C4-alkyl substituted phenyl, in particular di-tert.-butyl-phenyl, R3, R4 and R5 being individually selected from the group of hydrogen, C1-C4-alkyl, unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aryl, in particular unsubstituted or C1-C4-alkyl substituted phenyl whereby preferably R3, R4 and R5 being individually selected from the group of hydrogen, C1-C4-alkyl, unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl, more preferably at least one of the radicals R3 to R5 shall mean C1-C4-alkyl, in particular methyl, i-propyl and phenyl and, L is an amidinate ligand of the formula (3) (3) wherein the amidine-containing ligand is covalently bonded to the metal M via the imine nitrogen atom, and Sub1 is an unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aromatic substituent, in particular phenyl and Sub2 is a substituent comprising a heteroatom of group 15, through which Sub2 is bonded to the imine carbon atom or Sub1 and Sub2 together with the imino group they are connected to form a ligand of formula (3a) wherein the amidine-containing ligand (3a) is covalently bonded to the metal M via the imine nitrogen atom N2, wherein the benzo ring fused to the amidine ring may be unsubstituted or contain further substituents R7, which are individually of the index "q" selected from the group of hydrogen, C1-C4-alkyl and halogen and whereby q is a number of 0 to 4, preferably 0 to 2, most preferably 0, Sub4 is an aliphatic or aromatic cyclic or linear substituent comprising a group 14 atom through which Sub4 is bonded to the amino nitrogen atom N 1, preferably Sub4 is a C6-C10-aromatic ring, preferably phenyl which is unsubstituted or substituted by one or more substituents from the group selected from halogen, in particular Cl or F and C1-C4-alkyl, preferably Sub4 is a 2,6-di-fluorophenyl.

  化合物的化学式为：InCyLMZp，其中M是第4族金属，Z是一个阴离子配体，p是1到2之间的数字，最好是2。InCy是一个融合苯环的吲哚基环戊二烯基配体，其化学式为：R1代表每个指数m分别为苯环的C1-C4烷基取代氢原子，m的取值范围为0到4，最好是0到2，特别是0。R2代表C1-C10烷基、C5-C10环烷基，以及未取代或取代的C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4-20烷基取代的苯基，更好的是甲基、苯基或二甲基取代的苯基，特别是叔丁基二甲基取代的苯基。R3、R4和R5分别选自氢、C1-C4烷基、未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基，特别是未取代或C1-C4烷基取代的苯基，最好是R3、R4和R5中至少有一个代表C1-C4烷基，特别是甲基、异丙基和苯基。L是一个含有酰胺基的配体的化学式，其中该酰胺基配体通过亚胺氮原子与金属M共价结合，Sub1是未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基，特别是苯基，Sub2是一个含有第15族元素的取代基，通过这个取代基与亚胺碳原子或Sub1结合，Sub2与亚胺基一起形成一个配体的化学式，其中含有酰胺基的配体通过亚胺氮原子N2与金属M共价结合，其中与酰胺环融合的苯环可能是未取代的或含有进一步的取代基R7，这些取代基分别为指数“q”选自氢、C1-C4烷基和卤素，q的取值范围为0到4，最好是0到2，最好是0，Sub4是通过含有第14族元素的线性或环状取代基与氨基氮原子N1结合的取代基，最好是C6-C10芳环，最好是未取代或由卤素（特别是Cl或F）和C1-C4烷基中的一个或多个取代的苯基，最好是2,6-二氟苯基。
• Polymerization Catalyst Comprising Amidine Ligand
  申请人：Ijpeij Edwin

  公开号：US20090012246A1

  公开（公告）日：2009-01-08

  The invention relates to a process for the preparation of a polymer comprising at least one aliphatic or aromatic hydrocarbyl C 2-20 olefin in the presence of an ionic catalyst comprising an organometallic compound and an activator, and optionally a scavenger, characterized in that the organometallic compound is a compound according to formula (1): where: M is a metal of group 3, 4, 5, 6 or 7, or the lanthanide series, and p is the valency of the metal M, A represents a neutral or anionic spectator ligand whose valency v is 0, 1 or 2, and q is an integer denoting the number of spectator ligands A, Z is an optional bridging moiety, n is the integer number of parallel bridging moieties Z, Y is an amidine-containing spectator ligand represented by formula (2): wherein the amidine-containing ligand is covalently bonded to the metal M via the imine nitrogen atom, Sub 1 is a substituent, which comprises a group 14 atom through which Sub 1 is bonded to the imine carbon atom. Sub 2 is a substituent, which comprises a heteroatom of group 15-16, through which Sub 2 is bonded to the imine carbon atom, r is an integer >0, L is an optional neutral Lewis basic ligand, j is an integer denoting the number of neutral ligands L, and X is an anionic ligand. The invention further relates to a organometallic compound according to formula (1) and a process for the preparation of this compound as well as to a UHMWPE having a weight average molecular weight of at least 4.000 kg/mol and a molecular weight distribution M w /M n of less than 2.6.

  本发明涉及一种制备聚合物的方法，该聚合物包含至少一种脂肪族或芳香族C2-20烯烃，在离子催化剂的存在下进行。该离子催化剂包括一个有机金属化合物和一个活化剂，以及可选的清除剂。其中，所述有机金属化合物是符合以下公式（1）的化合物： 其中：M是3、4、5、6或7族金属或稀土系列金属，p是金属M的价，A代表中性或负离子观察配体，其价为0、1或2，q是表示观察配体A的数量的整数，Z是可选的桥接基团，n是平行桥接基团Z的整数，Y是含有酰胺基的观察配体，其由以下公式（2）表示： 其中，含有酰胺基的配体通过亚胺氮原子与金属M共价键合，Sub1是一个取代基，其中包括一个14族元素基团，通过Sub1与亚胺碳原子键合。Sub2是一个取代基，其中包括一个15-16族杂原子，通过Sub2与亚胺碳原子键合。r是大于0的整数，L是可选的中性路易斯碱配体，j是表示中性配体L的数量的整数，X是一个负离子配体。本发明还涉及符合公式（1）的有机金属化合物的制备方法，以及具有重量平均分子量至少为4.000 kg/mol，分子量分布Mw/Mn小于2.6的超高分子量聚乙烯的制备方法。
• Polymerization catalyst comprising amidine ligand
  申请人：DSM IP Assets B.V.

  公开号：US07956140B2

  公开（公告）日：2011-06-07

  The invention relates to a process for the preparation of a polymer comprising at least one aliphatic or aromatic hydrocarbyl C2-20 olefin in the presence of an ionic catalyst, comprising an organometallic compound and an activator, and optionally a scavenger.

  本发明涉及一种制备聚合物的过程，该聚合物至少包含一种脂肪族或芳香族烃基C2-20烯烃，在离子催化剂的存在下进行，包括一种有机金属化合物和一种活化剂，以及可选的清除剂。
• METALL COMPLEX COMPRISING AMIDINE AND SUBSTITUTED CYCLOPENTADIENYL LIGANDS
  申请人：Arlanxeo Netherlands B.V.

  公开号：EP3272761A1

  公开（公告）日：2018-01-24

  The present invention relates to a metal complexes of formula (1), which is:          CyLMZ p      (1), comprising a substituted cyclopentadienyl ligand (Cy) and an amidinate ligand (L), Cy is a substituted cyclopentadienyl ligand that contains the substituents R1, R2 and 3 additional methyl groups, whereof two of the methyl groups, provided they are vicinal may optionally be exchanged by an anellated C6-C10 aromatic ring, wherein R1 means H, halogen or a C3-C20 substituent R2 means a C1-C20 substituent L is represented by either formula (2) or (2b). Further claims relate to a catalyst system containing said metal complex and a process for manufacturing polymers wherein said metal complex or catalyst system is used.

  本发明涉及式（1）的金属络合物，即 CyLMZ p (1)、 Cy 是取代的环戊二烯基配体，含有取代基 R1、R2 和 3 个额外的甲基，其中 2 个甲基（如果是沧侧甲基）可以选择性地与一个酰胺化的 C6-C10 芳环交换，其中 R1 指 H、卤素或 C3-C20 取代基 R2 指 C1-C20 取代基 L 由式 (2) 或 (2b) 表示。 进一步的权利要求涉及含有所述金属络合物的催化剂体系，以及使用所述金属络合物或催化剂体系的聚合物生产工艺。
• Catalyst system
  申请人：ARLANXEO NETHERLANDS B.V.

  公开号：US10316113B2

  公开（公告）日：2019-06-11

  A catalyst system comprising a supported catalyst containing a) a solid support, which is a solid methylaluminoxane composition wherein: i) the aluminum content is in the range of 36 to 41 wt % and ii) the mole fraction of methyl groups derived from the trimethylaluminum component relative to the total number of moles of methyl groups is 12 mol % or lower and b) a catalyst thereon which is a metal complex of the formula (1) CyLMZp (1), wherein M is titanium Z is an anionic ligand, p is number of 1 to 2, preferably 2, Cy is a cyclopentadienyl-type ligand and L is an amidinate ligand of the formula (2) wherein the amidine-containing ligand is covalently bonded to the metal M via the imine nitrogen atom, and Sub1 is a substituent comprising a group 14 atom through which Sub1 is bonded to the imine carbon atom and Sub2 is a substituent comprising a heteroatom of group, through which Sub2 is bonded to the imine carbon atom.

  一种催化剂体系，包括一种支撑催化剂，该催化剂含有 a) 一种固体支撑物，该支撑物是一种固体甲基铝氧烷组合物，其中：i) 铝含量在 36 至 41 重量％之间，ii) 源自三甲基铝组分的甲基基团相对于甲基基团摩尔总数的摩尔分数为 12 摩尔％或更低；以及 b) 其上的催化剂，该催化剂是式 (1) CyLMZp (1) 的金属络合物，其中 M 是钛 Z 是阴离子配体，p 是 1 至 2 的数字，最好是 2、Cy 是环戊二烯型配体，L 是式 (2) 的脒基配体，其中含脒配体通过亚胺氮原子与金属 M 共价键合，Sub1 是由基团 14 原子组成的取代基，Sub1 通过该取代基与亚胺碳原子键合，Sub2 是由基团杂原子组成的取代基，Sub2 通过该取代基与亚胺碳原子键合。