N,N-dimethyl-α-phenylacetamidine | 56776-16-0

• 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-dimethyl-α-phenylacetamidine
• 英文别名: N,N-dimethyl-2-phenyl-acetamidine；N,N-Dimethyl-2-phenyl-acetamidin；N.N-Dimethyl-phenacetamidin；α-Phenyl-N,N-dimethylacetamidin；α-Phenyl-N,N-dimethylacetamid；N.N-Dimethyl-phenylacetamidin；N,N-Dimethyl(phenyl)ethanimidamide；N,N-dimethyl-2-phenylethanimidamide
• CAS: 56776-16-0
• 化学式: C₁₀H₁₄N₂
• 分子量: 162.235
• InChiKey: VEHZLOXNVVKFAG-UHFFFAOYSA-N

物化性质

• 沸点：
  233.6±33.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  27.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-α-phenylacetamidine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 N,N-二甲基-2-苯乙胺
  参考文献：
  名称：

  CONVERSION OF NITRILES INTO TERTIARY AMINES: N,N-DIMETHYLHOMOVERATRYLAMINE

  摘要：

  DOI：

  10.15227/orgsyn.076.0133
• 作为产物：
  描述：

  二甲基氢胺 、 苄基氯化镁 在 乙醚 作用下， 生成 N,N-dimethyl-α-phenylacetamidine
  参考文献：
  名称：

  Vuylsteke, Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1926, vol. <5> 12, p. 535

  摘要：

  DOI：

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。
• [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。
• 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。
• Metal complex comprising amidine and substituted cyclopentadienyl ligands
  申请人：ARLANXEO NETHERLANDS B.V.

  公开号：US10472431B2

  公开（公告）日：2019-11-12

  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.

  式（1）CyLMZp(A)n (1)的金属配合物，其中 M 是第 4 组金属 Z 是阴离子配体，p 是 1 至 2 的数字，最好是 2，Cy 是被至少一个脂肪族 C3-C20 烃基取代的环戊二烯型配体，该烃基通过仲碳原子、叔碳原子或季碳原子与环戊二烯型配体结合、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 14 族原子组成的取代基，Sub1 通过该取代基与亚胺碳原子结合；Sub2 是由 15 族杂原子组成的取代基，Sub2 通过该取代基与亚胺碳原子结合；A 是中性路易斯碱配体，选自由醚、硫醚、胺、叔膦、亚胺、腈和异腈组成的列表，其中所述金属配体的数目 "n "的范围为 0 至规定 18 电子规则的量。