N-mesitylpyrrole | 881041-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-mesitylpyrrole
• 英文别名: 1-Mesityl-1H-pyrrole；1-(2,4,6-trimethylphenyl)pyrrole
• CAS: 881041-55-0
• 化学式: C₁₃H₁₅N
• mdl: MFCD06653491
• 分子量: 185.269
• InChiKey: VSUNUXMFHZNGKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  N-mesitylpyrrole 在 sodium cyanoborohydride 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 1-(2-Methoxy-phenyl)-4-[1-(2,4,6-trimethyl-phenyl)-1H-pyrrol-3-ylmethyl]-piperazine
  参考文献：
  名称：

  Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands

  摘要：

  Virtual screening studies have identified a series of phenylpyrroles as novel 5-HT7 receptor ligands. The synthesis and the affinity for the 5-HT7 receptor of these phenylpyrroles are described. Some of these compounds exhibited high affinity for the 5-HT7 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.059
• 作为产物：
  描述：

  N-mesityl pyrrolidine 在 三乙基硅烷 、 异丁烯基三甲基硅烷 、 C₁₈BF₁₅*(x)H₂O 作用下， 以 邻二氯苯 为溶剂， 以80%的产率得到N-mesitylpyrrole
  参考文献：
  名称：

  B(C6F5)3-催化吡咯烷脱氢形成吡咯

  摘要：

  吡咯是在药物和材料中发现的重要的N-杂环化合物。从广泛使用的吡咯烷中形成吡咯是一种潜在有吸引力的策略，但由于吡咯对实现这种转化所需的氧化条件的敏感性，该方法尚未成熟。在此，我们报告了一种催化方法，该方法在操作简单的过程中采用市售的 B(C 6 F 5 ) 3 ，允许吡咯烷作为吡咯的直接合成子。机理研究揭示了对硼烷催化脱氢过程的见解。

  DOI：

  10.1021/acscatal.3c05444

文献信息

• Iron-Catalyzed Inexpensive and Practical Synthesis of N-Substituted Pyrroles in Water
  作者：Najmedin Azizi、Alireza Khajeh-Amiri、Hossein Ghafuri、Mohammad Bolourtchian、Mohammad Saidi

  DOI：10.1055/s-0029-1217799

  日期：2009.9

  An operationally simple, practical, and economical protocol for iron(III) chloride catalyzed Paal-Knorr pyrrole synthesis in water in good to excellent yields has been developed. Several N-substituted pyrroles are readily prepared from the reaction of 2,5-dimethoxytetrahydrofuran and aryl/alkyl, sulfonyl and acyl amines under very mild reaction conditions

  一种操作简便、实用且经济的实验方案已被开发，用于在水相中以铁(III)氯化物为催化剂进行Paal-Knorr吡咯合成，产率良好至优异。在非常温和的反应条件下，多个N-取代吡咯可以方便地通过2,5-二甲氧基四氢呋喃与芳基/烷基、磺酰基和酰基胺的反应来制备。
• Squaric acid catalyzed simple synthesis of N-substituted pyrroles in green reaction media
  作者：Najmadin Azizi、Anahita Davoudpour、Farshid Eskandari、Ehlham Batebi

  DOI：10.1007/s00706-012-0841-2

  日期：2013.3

  AbstractAn operationally simple and efficient protocol for squaric acid catalyzed synthesis of N-substituted pyrroles via the reaction of 2,5-dimethoxytetrahydrofuran and 2,5-hexandione with aryl amines in green reaction media (water, deep eutectic solvent, and polyethylene glycol) under ultrasound irradiation or thermal conditions in good to excellent yields has been developed. Graphical abstract

  摘要在绿色反应介质（水，深共熔溶剂和聚乙二醇）下，通过2,5-二甲氧基四氢呋喃和2,5-己二酮与芳胺的反应，对方酸催化合成N-取代的吡咯进行操作简单有效已经开发了具有良好产率的超声辐射或热条件。 图形概要
• 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。
• A novel ylide-stabilized carbene; formation and electron donating ability of an amino(sulfur-ylide)carbene
  作者：Junji Kobayashi、Shin-ya Nakafuji、Atsushi Yatabe、Takayuki Kawashima

  DOI：10.1039/b813454e

  日期：——

  A novel N-heterocyclic carbene, amino(sulfur-ylide)carbene, which is stabilized by electron donation from the carbanion of a sulfur ylide as well as a nitrogen atom, was generated and its Rh complex was synthesized; the electron donating properties of the amino(sulfur-ylide)carbene were investigated using the IR carbonyl stretching frequencies of the Rh complex, indicating a relatively strong electron-donating

  生成了一种新型的N-杂环卡宾，氨基（硫代-叶立德）碳烯，该化合物通过从硫代叶立德的碳负离子以及一个氮原子上的供电子而得到稳定，并合成了其Rh配合物。使用Rh配合物的IR羰基拉伸频率研究了氨基（硫代-叶立德）卡宾的电子给体性能，表明在报道的碳烯中电子给体能力相对较强。
• 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。