1-Carbamimidoylcyclopenta-2,4-diene-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Carbamimidoylcyclopenta-2,4-diene-1-carboxylic acid
• 英文别名: 1-carbamimidoylcyclopenta-2,4-diene-1-carboxylic acid
• 化学式: C₇H₈N₂O₂
• 分子量: 152.15
• InChiKey: MJJSOEMHXNASDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.2
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Non-Coordinating Anion Type Activators Containing Cation having Branched Alkyl Groups
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20190330392A1

  公开（公告）日：2019-10-31

  The present disclosure provides borate or aluminate activators comprising cations having branched alkyl groups, catalyst systems comprising, and methods for polymerizing olefins using such activators. Specifically, the present disclosure provides activator compounds represented by Formula: [R 1 R 2 R 3 EH] d + [M k+ Q n ] d− , wherein: E is nitrogen or phosphorous; d is 1, 2 or 3; k is 1, 2, or 3; n is 1, 2, 3, 4, 5, or 6; n−k=d; each of R 1 , R 2 , and R 3 is independently C 1 -C 40 branched or linear alkyl or C 5 -C 50 -aryl, wherein each of R 1 , R 2 , and R 3 is independently unsubstituted or substituted with at least one of halide, C 5 -C 50 aryl, C 6 -C 35 arylalkyl, C 6 -C 35 alkylaryl and, in the case of the C 5 -C 50 -aryl, C 1 -C 50 alkyl; wherein R 1 , R 2 , and R 3 together comprise 15 or more carbon atoms; M is an element selected from group 13 of the Periodic Table of the Elements; and each Q is independently a hydride, bridged or unbridged dialkylamido, halide, alkoxide, aryloxide, hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, or halosubstituted-hydrocarbyl radical, provided that at least one of R 1 , R 2 , and R 3 is a branched alkyl.

  本公开提供含有支链烷基阳离子的硼酸盐或铝酸盐活化剂，以及包含这些活化剂的催化剂体系和使用这些活化剂聚合烯烃的方法。具体地，本公开提供由以下式表示的活化剂化合物：[R1R2R3EH]d+[Mk+Qn]d−，其中：E为氮或磷；d为1、2或3；k为1、2或3；n为1、2、3、4、5或6；n−k=d；R1、R2和R3中的每一个均为独立的C1-C40支链或直链烷基或C5-C50芳基，其中R1、R2和R3中的每一个均为未取代或取代的，取代物可以是卤素、C5-C50芳基、C6-C35芳基烷基、C6-C35烷基芳基以及在C5-C50芳基情况下为C1-C50烷基；其中R1、R2和R3共同包含15个或更多碳原子；M为周期表元素第13族中选择的元素；每个Q均为独立的氢化物、桥联或非桥联二烷基胺基、卤素、烷氧基、芳氧基、烃基、取代烃基、卤代烃基、取代卤代烃基或卤取代烃基基团，要求R1、R2和R3中至少有一个为支链烷基。
• [EN] NON-COORDINATING ANION TYPE BENZIMIDAZOLIUM ACTIVATORS<br/>[FR] ACTIVATEURS DE BENZIMIDAZOLIUM DE TYPE ANION NON COORDONNANTS
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2020219050A1

  公开（公告）日：2020-10-29

  The present disclosure provides benzimidazolium borate activators comprising benzimidazobum cations having linear alkyl groups, catalyst systems comprising, and processes for polymerizing olefins using such activators. Specifically, the present disclosure provides polymerization activator compounds which may be prepared in, and which are soluble in aliphatic hydrocarbon and alicyclic hydrocarbon solvents.

  本公开提供了含有线性烷基基团的苯并咪唑硼酸盐活化剂，其中含有苯并咪唑阳离子，还提供了包含催化剂体系以及使用这种活化剂聚合烯烃的工艺。具体来说，本公开提供了可在脂肪烃和脂环烃溶剂中制备并溶解的聚合活化剂化合物。
• Non-Coordinating Anion Type Benzimidazolium Activators
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20200339517A1

  公开（公告）日：2020-10-29

  The present disclosure provides benzimidazolium borate activators comprising benzimidazolium cations having linear alkyl groups, catalyst systems comprising, and processes for polymerizing olefins using such activators. Specifically, the present disclosure provides polymerization activator compounds which may be prepared in, and which are soluble in aliphatic hydrocarbon and alicyclic hydrocarbon solvents.

  本公开提供了包含线性烷基基团的苯并咪唑硼酸盐活化剂，其中包括苯并咪唑阳离子，还提供了包含这些活化剂的催化剂系统，以及利用这种活化剂聚合烯烃的过程。具体来说，本公开提供了可在脂肪烃和脂环烃溶剂中制备的、可溶解的聚合活化剂化合物。
• [EN] NON-COORDINATING ANION TYPE ACTIVATORS FOR USE WITH POLYOLEFIN POLYMERIZATION CATALYSTS<br/>[FR] ACTIVATEURS DU TYPE ANION NON COORDINANT POUR UNE UTILISATION AVEC DES CATALYSEURS DE POLYMÉRISATION DES POLYOLÉFINES
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2021025903A1

  公开（公告）日：2021-02-11

  The present disclosure is related to activator compounds represented by: [Ar(E 1 R 1 R 2 H)x(E 2 R 3 R 4)y][QR 5 R 6 R 7 R 8]z In the formula Ar is a C6-C30 aromatic hydrocarbyl group, provided that if Ar is a multicyclic ring, then each E 1 and each E 2 are substitutions on a single ring. Also, x is 1 to 4; y is 0 to 3; z = x; and x+y is 2 to 6. Each of E 1 and E 2 are independently selected from nitrogen or phosphorous and Q is selected from group 13 of the Periodic Table of the Elements. Additionally, each of R 1, R 2, R 3 and R 4 are independently selected from C1-C40 aliphatic hydrocarbyl, substituted C1-C40 aliphatic hydrocarbyl and each of R 5, R 6, R 7, and R 8 is independently a C6-C24 hydrocarbyl or a C6-C24 substituted hydrocarbyl. The present disclosure also relates to catalyst systems including a catalyst and the activator compound. Also, the present disclosure relates to methods of polymerizing olefins.

  本公开涉及由以下化合物表示的活化剂化合物：[Ar（E 1 R 1 R 2 H）x（E 2 R 3 R 4）y] [QR 5 R 6 R 7 R 8] z其中，Ar是C6-C30芳香族烃基，但如果Ar是多环环，则每个E1和每个E2是单个环上的取代物。此外，x为1到4; y为0到3; z = x; x + y为2到6。每个E1和E2都是从氮或磷中独立选择的，而Q是从元素周期表的第13组中选择的。此外，R1，R2，R3和R4中的每一个都是独立选择的C1-C40脂肪烃基，取代C1-C40脂肪烃基，而R5，R6，R7和R8中的每一个都是独立的C6-C24烃基或C6-C24取代烃基。本公开还涉及包括催化剂和活化剂化合物的催化剂系统。此外，本公开还涉及聚合烯烃的方法。
• Alkyl Ammonium (Fluoroaryl)borate Activators
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20190330394A1

  公开（公告）日：2019-10-31

  The present disclosure provides borate activators, catalyst systems comprising borate activators, and methods for polymerizing olefins using borate activators. The borate activator compounds are represented by Formula (I): [R 1 R 2 R 3 EH] + [BR 4 R 5 R 6 R 7 ] − , wherein: E is nitrogen or phosphorous; R 1 is an electron deficient aromatic group; each of R 2 and R 3 is independently C 1 -C 40 alkyl, C 5 -C 22 -aryl, wherein each of R 1 , R 2 , and R 3 is independently unsubstituted or substituted with at least one of halide, C 1 -C 10 alkyl, C 5 -C 15 aryl, C 6 -C 25 arylalkyl, and C 6 -C 25 alkylaryl, wherein R 1 , R 2 , and R 3 together comprise 15 or more carbon atoms; and each of R 4 , R 5 , R 6 , and R 7 is aryl (such as phenyl or naphthyl), wherein at least one of R 4 , R 5 , R 6 , and R 7 is substituted with one or more fluorine atoms.

  本公开提供硼酸盐活化剂、包含硼酸盐活化剂的催化剂体系，以及使用硼酸盐活化剂聚合烯烃的方法。硼酸盐活化剂化合物由式(I)表示：[R1R2R3EH]+[BR4R5R6R7]−，其中：E为氮或磷；R1为电子不足的芳香基团；R2和R3中的每一个独立地为C1-C40烷基，C5-C22芳基，其中R1、R2和R3中的每一个独立地未取代或取代，至少取代一个卤素、C1-C10烷基、C5-C15芳基、C6-C25芳基烷基和C6-C25烷基芳基中的一种；其中R1、R2和R3共同包含15个或更多碳原子；R4、R5、R6和R7中的每一个为芳基（如苯基或萘基），其中R4、R5、R6和R7中的至少一个取代有一个或多个氟原子。