1-heptylpyrrole | 91355-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-heptylpyrrole
• 英文别名: 1-heptyl-1H-pyrrole；N-n-Heptyl-pyrrol
• CAS: 91355-52-1
• 化学式: C₁₁H₁₉N
• 分子量: 165.279
• InChiKey: TWLVZXNURGTUPS-UHFFFAOYSA-N

物化性质

• 沸点：
  235.6±3.0 °C(Predicted)
• 密度：
  0.86±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  顺式-1,2-二羟甲基乙烯 、 庚胺 在 2,2'-联吡啶 、 sodium carbonate 、 nickel dichloride 作用下， 以 甲苯 为溶剂， 反应 36.0h， 以53%的产率得到1-heptylpyrrole
  参考文献：
  名称：

  使用芳醇和烷基胺的二醇进行镍催化的N取代吡咯的合成

  摘要：

  在本文中，报道了使用具有一系列芳基，烷基和杂芳基胺的丁烯-1，4-二醇和丁炔1，4-二醇，镍催化的可持续合成N-取代的吡咯的策略。催化方案可耐受游离醇，卤化物，烷基，烷氧基，氧杂环，活化的苄基和吡啶部分，并能产生高达90％的收率。最初的机理研究涉及确定的镍催化剂，速率的确定和反应顺序，包括氘标记实验，用于吡咯合成。

  DOI：

  10.1021/acs.joc.8b02666

文献信息

• "Growth from surface" Methodology for the Fabrication of Functional Dual Phase Conducting Polymer polypyrrole/polycarbazole/Polythiophene (CP/polyPyr/polyCbz/PolyTh)-Carbon Nanotube (CNT) Composites of Controlled Morphology and Composition - Sidewall versus End-Selective PolyTh Deposition
  申请人：Lellouche Jean-Paul

  公开号：US20130040049A1

  公开（公告）日：2013-02-14

  A “growth from the surface” method for selectively depositing oxidative Liquid Phase Polymerizations (LPPs) onto the carbon nanotube (CNT) surface, said method comprising steps of: a. obtaining Multi-walled Carbon Nanotubes (MWC-NT); b. oxidized said MWCNTs to obtain oxidized COOH-MWCNTs; thereby (a) carboxylative opening oxidation-sensitive end-caps (polyCOOH end cluster); and, (b) introducing defect carboxylic (COOH) groups onto predetermined areas of said oxidized COOH-MWCNTs; c. COOH activating the polyCOOH shell using various COOH activating species; and, d. executing Liquid Phase Polymerization (LPP) oxidative depositing polymers selected from said polyCOOH polyTh-CP polymers, polyCOOH poly-Th-, polyEDOT (PEDOT)-, polyTh polyCOOH poly(thiophenyl-3 acetic acid, thiophenyl-3 acetic acid/EDOT, polyX, wherein X is elected from COOH, OH, NH2, polyCbz/polyPyr CP polymers and related combinatorial mixtures, polyCOOH PEDOT-poly(thiophenyl-3 acetic acid)′ thereby selectively depositing said oxidative LPPs onto said CNT surface.

  一种用于选择性沉积氧化液相聚合物（LPPs）到碳纳米管（CNT）表面的“从表面生长”方法，所述方法包括以下步骤：a. 获得多壁碳纳米管（MWC-NT）；b. 氧化所述MWCNTs以获得氧化的COOH-MWCNTs；从而（a）羧化开启氧化敏感端盖（polyCOOH端簇）；以及（b）在所述氧化的COOH-MWCNTs的预定区域引入缺陷羧基（COOH）基团；c. 使用各种COOH活化物种对polyCOOH壳进行COOH活化；以及d. 执行液相聚合物化学氧化沉积聚合物，所选聚合物来自所述polyCOOH polyTh-CP聚合物，polyCOOH poly-Th-，polyEDOT（PEDOT）-，polyTh polyCOOH poly（噻吩-3 乙酸，噻吩-3 乙酸/EDOT，polyX，其中X选自COOH，OH，NH2，polyCbz/polyPyr CP聚合物和相关组合物，polyCOOH PEDOT-poly（噻吩-3 乙酸）'，从而选择性地将所述氧化LPPs沉积到所述CNT表面。
• Direct Synthesis of Pyrroles by Dehydrogenative Coupling of Diols and Amines Catalyzed by Cobalt Pincer Complexes
  作者：Prosenjit Daw、Subrata Chakraborty、Jai Anand Garg、Yehoshoa Ben-David、David Milstein

  DOI：10.1002/anie.201607742

  日期：2016.11.7

  Herein, the first example of base‐metal‐catalyzed dehydrogenative coupling of diols and amines to selectively form functionalized 1,2,5‐substituted pyrroles liberating water and hydrogen gas as the sole by‐products is presented. The reaction is catalyzed by pincer complexes of earth‐abundant cobalt.

  在此，提出了第一个例子，即碱金属催化的二醇和胺的脱氢偶联，选择性地形成官能化的1,2,5-取代的吡咯，释放出水和氢气作为唯一的副产物。富含稀土的钴的钳状配合物可催化该反应。
• Heteroatom bridged metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135597A1

  公开（公告）日：2007-06-14

  This invention relates to a transition metal compound represented by the formula: wherein M is a group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom; E is: 1) a substituted or unsubstituted indenyl ligand that is bonded to Y through the four, five, six or seven position of the indenyl ring, or 2) a substituted or unsubstituted heteroindenyl ligand that is bonded to Y through the four, five or six position of the heteroindenyl ring, provided that the bonding position is not the same as the position of the ring heteroatom, or 3) a substituted or unsubstituted fluorenyl ligand that is bonded to Y through the one, two, three, four, five, six, seven or eight position of the fluorenyl ring, or 4) a substituted or unsubstituted heterofluorenyl ligand that is bonded to Y through the one, two, three, four, five or six position of the heteroindenyl ring, provided that the bonding position is not the same as the position of the ring heteroatom; A is a substituted or unsubstituted cyclopentadienyl ligand, a substituted or unsubstituted heterocyclopentadienyl ligand, a substituted or unsubstituted indenyl ligand, a substituted or unsubstituted heteroindenyl ligand, a substituted or unsubstituted fluorenyl ligand, a substituted or unsubstituted heterofluorenyl ligand, or other mono-anionic ligand; Y is a Group 15 or 16 bridging heteroatom substituent that is bonded via the heteroatom to E and A; and X are, independently, univalent anionic ligands, or both X are joined and bound to the metal atom to form a metallocycle ring, or both X join to form a chelating ligand, a diene ligand, or an alkylidene ligand. This invention further relates to catalyst systems comprising the above transiotioon metal compounds, activators and optional supports and their use to polymerize or oligomerize olefins.

  本发明涉及一种过渡金属化合物，其表示为以下公式：其中M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子；E是：1）与Y通过茚环的四、五、六或七位置结合的取代或未取代的茚基配体，或2）与Y通过杂环茚环的四、五或六位置结合的取代或未取代的杂环茚基配体，前提是结合位置与环杂原子的位置不同，或3）与Y通过芴环的一、二、三、四、五、六、七或八位置结合的取代或未取代的芴基配体，或4）与Y通过杂芴环的一、二、三、四、五或六位置结合的取代或未取代的杂芴基配体，前提是结合位置与环杂原子的位置不同；A是取代或未取代的环戊二烯基配体，取代或未取代的杂环戊二烯基配体，取代或未取代的茚基配体，取代或未取代的杂环茚基配体，取代或未取代的芴基配体，取代或未取代的杂芴基配体，或其他单阴离子配体；Y是通过杂原子与E和A结合的15族或16族桥接杂原子取代基；X是独立的一价阴离子配体，或两个X结合并与金属原子结合形成金属环，或两个X结合形成螯合配体、二烯基配体或烷基亚基配体。本发明还涉及包含上述过渡金属化合物、活化剂和可选支撑物的催化剂系统及其用于聚合或寡聚烯烃的用途。
• Phosphorus bridged metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20050239981A1

  公开（公告）日：2005-10-27

  This invention relates to metallocene compounds represented by formula: wherein M is a group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom; E is a substituted or unsubstituted indenyl ligand that is bonded to Y through the two position of the indenyl ring; A is bonded to Y, and is a substituted or unsubstituted cyclopentadienyl ligand, a substituted or unsubstituted heterocyclopentadienyl ligand, a substituted or unsubstituted indenyl ligand, a substituted or unsubstituted heteroindenyl ligand, a substituted or unsubstituted fluorenyl ligand, a substituted or unsubstituted heterofluorenyl ligand, or other mono-anionic ligand, or A may, independently, be defined as E; Y is a phosphorus containing group that is bonded to both E and A, and is bonded via the phosphorus atom to E; and X are, independently, univalent anionic ligands, or both X are joined and bound to the metal atom to form a metallocycle ring, or both X join to form a chelating ligand, a diene ligand, or an alkylidene ligand.

  本发明涉及由以下式表示的金属环化合物：其中M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子；E是通过茚环的2位与Y键合的取代或未取代的茚基配体；A与Y键合，可以是取代或未取代的环戊二烯基配体、取代或未取代的杂环戊二烯基配体、取代或未取代的茚基配体、取代或未取代的杂茚基配体、取代或未取代的芴基配体、取代或未取代的杂芴基配体或其他单负离子配体，或者A可以独立地被定义为E；Y是含磷基团，通过磷原子与E和A键合；X是独立的单价阴离子配体，或者两个X连接并与金属原子结合形成金属环，或两个X连接形成螯合配体、二烯配体或烷基亚胺配体。
• Heterocyclic substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20050261449A1

  公开（公告）日：2005-11-24

  This invention relates to compounds represented by formula: wherein M is a group 3, 4, 5 or 6 transition, lanthanide, or actinide metal atom; E is an indenyl ligand substituted in any position with at least one aromatic or pseudoaromatic heterocyclic substituent that is bonded to the indenyl ring through a nitrogen or phosphorous ring heteroatom; A is a substituted or unsubstituted cyclopentadienyl, heterocyclopentadienyl, indenyl, heteroindenyl, fluorenyl, or heterofluorenyl ligand, or other mono-anionic ligand, or A may, independently, be E; Y is an optional bridging group; y is zero or one; X are, independently, univalent anionic ligands, and provided that when A is E, and y is one, and Y is bonded to the one position of each indenyl ligand, and per indenyl ligand there is only one aromatic heterocyclic or pseudoaromatic heterocyclic that is bonded to the indenyl ligand.

  本发明涉及以下式表示的化合物： 其中，M是3、4、5或6族过渡金属、镧系金属或锕系金属原子；E是任何位置上至少带有一种芳香或伪芳香杂环取代基的茚基配体，该取代基通过氮或磷杂环原子与茚环相连；A是取代或未取代的环戊二烯基、杂环戊二烯基、茚基、杂茚基、芴基或杂芴基配体，或其他单阴离子配体，或A可以独立地是E；Y是可选的桥接基团；y为零或一；X是独立的一价阴离子配体，且当A为E，y为一，并且Y与每个茚基配体的一位置相连时，每个茚基配体仅与一个芳香杂环或伪芳香杂环相连。