N, N-dicyclohexyl-2,6-difluorobenzimidamide

• 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-2,6-difluorobenzimidamide
• 英文别名: N,N-dicyclohexyl-2,6-difluorobenzamidine；N,N-dicyclohexyl-2,6-difluorobenzenecarboximidamide
• 化学式: C₁₉H₂₆F₂N₂
• 分子量: 320.426
• InChiKey: BVMGUTIIBZREDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 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：
  3

反应信息

• 作为反应物：
  描述：

  (3-(hex-5-en-1-yl)-1,2,4,5-tetramethylcyclopenta-2,4-dien-1-yl)titanium chloride 、 N, N-dicyclohexyl-2,6-difluorobenzimidamide 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  전이금속 화합물 및 이를 포함하는 촉매 조성물

  摘要：

  这项发明涉及过渡金属化合物及其包含的催化剂组合物。因此，与未结合线性烷基的过渡金属化合物相比，这些过渡金属化合物可用作高分子量烯烃聚合物的聚合反应催化剂，其具有高密度区域。

  公开号：

  KR20170073141A
• 作为产物：
  描述：

  2,6-二氟苯腈 、 甲基溴化镁 、 二环己胺 在 氯化铵 、 水 、 乙醚 、 Sodium sulfate-III 作用下， 以 甲苯 、 乙醚 为溶剂， 反应 47.0h， 以yielding 14.2 g (89%) of the product的产率得到N, N-dicyclohexyl-2,6-difluorobenzimidamide
  参考文献：
  名称：

  Polymerization catalyst comprising amidine ligand

  摘要：

  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。

  公开号：

  US07956140B2

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。
• 신규한 전이금속 화합물
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20170074678A

  公开（公告）日：2017-06-30

  본 발명은 화학식 1로 표시되는 신규한 전이금속 화합물에 관한 것으로, 본 발명에 따른 신규한 전이금속 화합물은 공중합성이 우수하며, 낮은 결정화 온도, 낮은 녹는점을 가지는 올레핀계 중합체의 제조에 있어 중합 반응의 촉매로 유용하게 사용될 수 있다.

  该专利涉及一种被表示为化学式1的新型过渡金属化合物，根据该专利，这种新型过渡金属化合物在合成中表现出优异的性能，并可作为催化剂在制备具有低结晶温度和低熔点的烯烃类聚合物时被有效利用。
• [EN] METAL COMPLEX COMPRISING AMIDINE AND SUBSTITUTED CYCLOPENTADIENYL LIGANDS<br/>[FR] COMPLEXE MÉTALLIQUE COMPRENANT DE L'AMIDINE ET DES LIGANDS CYCLOPENTADIÉNYLE SUBSTITUÉS
  申请人：LANXESS ELASTOMERS BV

  公开号：WO2016041818A1

  公开（公告）日：2016-03-24

  A metal complex of the formula (1 ) CyLMZp(A)n (1 ), wherein M is a group 4 metal Z is an anionic ligand, p is number of 1 to 2, preferably 2, Cy is a cyclopentadienyl-type ligand substituted with at least one aliphatic C3-C20 hydrocarbyl group, which is bonded to the cyclopentadienyl-type ligand, in particular to its cyclopentadienyl ring, via a secondary, a tertiary or quaternary carbon atom 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 15, through which Sub2 is bonded to the imine carbon atom and A is a neutral Lewis base ligand selected from the list consisting of ether, thioether, amine, tertiary phosphane, imine, nitrile and isonitrile,wherein the number of said metal ligands "n" is in the range of 0 to the amount that specifies the 18-electron rule.

  一种化学配合物的化学式（1）CyLMZp（A）n（1），其中M是4族金属，Z是一个阴离子配体，p是1至2的数字，最好是2，Cy是一种环戊二烯基类型的配体，其上至少有一个与环戊二烯基类型配体上的一个次生、三次或四次碳原子键合的脂肪烃基，L是一个化学式（2）的氨基酰配体，其中含有氨基的配体通过亚胺氮原子与金属M共价键合，Sub1是一个含有14族元素的取代基，通过Sub1与亲胺碳原子键合，Sub2是一个含有15族元素的取代基，通过Sub2与亲胺碳原子键合，A是从醚、硫醚、胺、三级膦、亚胺、腈和异腈的列表中选择的中性路易斯碱配体，其中金属配体“n”的数量在0到符合18电子规则的数量范围内。
• 전이금속 화합물, 이를 포함하는 촉매 조성물 및 이를 이용한 폴리올레핀의 제조 방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20170046462A

  公开（公告）日：2017-05-02

  본 발명은 올레핀 단량체의 중합 반응에서 높은 활성과 향상된 공중합 활성을 나타내어 저밀도 및 고분자량의 폴리올레핀의 제조를 가능케 하는 전이금속 화합물, 이를 포함하는 촉매 조성물 및 상기 조성물을 이용한 폴리올레핀의 제조 방법에 관한 것이다.

  这项发明涉及一种过渡金属化合物，它在聚合反应中表现出高活性和改善的共聚活性，从而使得制造低密度和高分子量的聚烯烃成为可能。还涉及使用该催化剂组合物制造聚烯烃的方法。
• 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。