2-methyl-3-[1-phenylpyrrol-2-yl]propanoic acid | 347917-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-methyl-3-[1-phenylpyrrol-2-yl]propanoic acid
• 英文别名: 2-methyl-3-(1-phenylpyrrol-2-yl)propanoic acid
• CAS: 347917-20-8
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: OICLGDMAVVKWPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-3-[1-phenylpyrrol-2-yl]propanoic acid 在 对甲苯磺酸 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 21.0h， 生成 5-methyl-1-phenyl-5,6-dihydrocyclopenta[1,2-b]pyrrol-4-one tosyl hydrazone
  参考文献：
  名称：

  具有与噻吩和吡咯稠合的 Cp 环的手性 Ansa 金属茂：合成、晶体结构和等规聚丙烯催化剂

  摘要：

  报道了具有与取代的噻吩 (Tp) 和吡咯 (Pyr) 稠合的环戊烯基配体的新型同种特异性茂金属（杂茂）的合成、晶体结构和聚合数据。C2-和C1-对称的杂茂是二甲基甲硅烷基桥接的，有甲基与桥头碳原子相邻，并且有芳基取代基突出在前面。rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2/MAO（MAO = 甲基铝氧烷）是迄今为止报道的聚丙烯最活跃的茂金属催化剂。rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2 和 rac-Me2Si(2,5-Me2-1-Ph-4-Cp[b]Pyr)2ZrCl2结构，前者的活性高 6 倍，产生的总对映面误差减半，在相同条件下丙烯聚合中的区域特异性低 3.5 倍。rac-Me2Si(2-Me-​​4-Ph-1-Ind)2ZrCl2/MAO 为 3。活性比 rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2

  DOI：

  10.1021/ja004266h
• 作为产物：
  描述：

  1-苯基吡咯 在 10percent Pd/C Claisen's reagent 、 氢气 作用下， 以 二氯甲烷 为溶剂， 90.0~95.0 ℃ 、551.59 kPa 条件下， 反应 5.0h， 生成 2-methyl-3-[1-phenylpyrrol-2-yl]propanoic acid
  参考文献：
  名称：

  具有与噻吩和吡咯稠合的 Cp 环的手性 Ansa 金属茂：合成、晶体结构和等规聚丙烯催化剂

  摘要：

  报道了具有与取代的噻吩 (Tp) 和吡咯 (Pyr) 稠合的环戊烯基配体的新型同种特异性茂金属（杂茂）的合成、晶体结构和聚合数据。C2-和C1-对称的杂茂是二甲基甲硅烷基桥接的，有甲基与桥头碳原子相邻，并且有芳基取代基突出在前面。rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2/MAO（MAO = 甲基铝氧烷）是迄今为止报道的聚丙烯最活跃的茂金属催化剂。rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2 和 rac-Me2Si(2,5-Me2-1-Ph-4-Cp[b]Pyr)2ZrCl2结构，前者的活性高 6 倍，产生的总对映面误差减半，在相同条件下丙烯聚合中的区域特异性低 3.5 倍。rac-Me2Si(2-Me-​​4-Ph-1-Ind)2ZrCl2/MAO 为 3。活性比 rac-Me2Si(2,5-Me2-3-Ph-6-Cp[b]Tp)2ZrCl2

  DOI：

  10.1021/ja004266h

文献信息

• Metallocene compounds, process for their preparation and their use in catalytic systems for the polymerization of olefins
  申请人：Basell Technology Company BV

  公开号：US06444833B1

  公开（公告）日：2002-09-03

  A class of metallocene compounds is disclosed having the general formula (I): wherein Y is a moiety of formula (II) wherein A, B and D, same or different from each other, are selected from an element of the groups 14 to 16 of the Periodic Table of the Elements (new IUPAC version), with the exclusion of nitrogen and oxygen; R1, R2, R3, R4 and R5 are hydrogen or hydrocarbon groups, Z is selected from a moiety of formula (II) as described above and from a moiety of formula (III): wherein R6, R7, R8 and R9, are hydrogen or hydrocarbon groups; L is a divalent bridging group; M is an atom of a transition metal selected from those belonging to group 3, 4, 5, 6 or to the lanthanide or actinide groups in the Periodic Table of the Elements (new IUPAC version), X, same or different, is hydrogen, a halogen, a R10, OR10, OSO2CF3, OCOR10, SR10, NR102 or PR102 group, wherein the substituents R10 are hydrogen or alkyl groups; p is an integer of from 0 to 3, being equal to the oxidation state of the metal M minus 2. The above metallocenes are particular useful in the polymerization of propylene.

  揭示了一类具有通用公式（I）的二茂铁化合物：其中Y是具有公式（II）的基团，在该基团中A、B和D，与彼此相同或不同，从元素周期表（新IUPAC版本）的14至16族元素中选择，但不包括氮和氧；R1、R2、R3、R4和R5是氢或烃基团，Z从上述描述的具有公式（II）的基团和具有公式（III）的基团中选择：其中R6、R7、R8和R9是氢或烃基团；L是双价桥连基团；M是从元素周期表（新IUPAC版本）中属于3、4、5、6族或镧系或锕系元素的过渡金属原子，X相同或不同，是氢、卤素、R10、OR10、OSO2CF3、OCOR10、SR10、NR102或PR102基团，其中取代基R10是氢或烷基基团；p是从0到3的整数，等于金属M的氧化态减2。上述二茂铁在丙烯聚合中特别有用。
• Polycyclic fused heteroring compounds metal complexes and polymerization process
  申请人：Graf D David

  公开号：US20050010039A1

  公开（公告）日：2005-01-13

  Metal complexes comprising a polycyclic, heteroatom containing fused ring compound comprising at least a cyclopentadienyl ring having fused thereto a 5-membered polyatomic ring containing one or more ring atoms selected from groups 15 or 16 of the Periodic Table of the Elements and lacking substituents forming 6-membered, aromatic fused rings; polymerization catalysts; and olefin polymerization processes using the same are disclosed.

  揭示了包含多环、含杂原子的融合环化合物的金属配合物，至少包括一个环戊二烯基环，其上融合有一个含有来自元素周期表第15或16组中选择的一个或多个环原子的5元多原子环，并且不含有形成6元芳香融合环的取代基；聚合催化剂；以及使用这些催化剂的烯烃聚合过程。
• POLYCYCLIC, FUSED HETERORING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS
  申请人：Dow Global Technologies, Inc.

  公开号：EP1487887A2

  公开（公告）日：2004-12-22
• METALLOCENE COMPLEX, PREPARATION METHOD THEREFOR, AND CATALYST COMPOSITION
  申请人：Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences

  公开号：EP3056505B1

  公开（公告）日：2019-01-02
• METALLOCENE COMPLEX, PREPARATION METHOD THEREOF AND CATALYST COMPOSITION
  申请人：CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY, CHINESE ACADEMY OF SCIENCES

  公开号：US20160229928A1

  公开（公告）日：2016-08-11

  This invention provides a metallocene complex and the preparation method thereof and a catalyst composition. This catalyst composition comprises a metallocene complex represented by formula (I) and an organic boron salt. Compared to the prior art, the catalyst used in this invention, which is the metallocene complex represented by formula (I), does not contain any side chain, and the coordination space of the central metal has a large opening degree. Therefore, the catalytic activity for more sterically hindered monomers is higher, and the comonomer incorporation is also higher. Furthermore, the metallocene complex represented by formula (I) used in this invention is a heterocyclic ring fused cyclopentadienyl ligand. Heterocyclic rings have relatively strong electron-donating capacity. By fusing a cyclopentadienyl group using heterocyclic rings, it is possible to change the electronic effect of the metal center and in turn increase the activity of catalyst. Therefore, by using the metallocene complex represented by formula (I), it is possible to prepare copolymers of ethylene with other olefins at high activity and high comonomer incorporation, and it is also possible to catalyze the polymerization of styrene and substituted styrene at high syndiotacticity and high activity.