3-(1-methylpropyl)-5-methyl-1H-pyrrole | 1079352-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(1-methylpropyl)-5-methyl-1H-pyrrole
• 英文别名: 4-sec-butyl-2-methyl-1H-pyrrole；4-butan-2-yl-2-methyl-1H-pyrrole
• CAS: 1079352-24-1
• 化学式: C₉H₁₅N
• mdl: MFCD19227584
• 分子量: 137.225
• InChiKey: NYSXGFKYUGUKRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-(1-methylpropyl)-5-methyl-1H-pyrrole 以 四氢呋喃 为溶剂， 生成 3-(1-methylpropyl)-5-methyl-1H-pyrrole-2-caboxylic acid methylamide
  参考文献：
  名称：

  Pyrrolo[1,2-b]pyridazines, pyrrolo[2,1-f]triazin-4(3H)-ones, and related compounds as novel corticotropin-releasing factor 1 (CRF1) receptor antagonists

  摘要：

  To identify structurally novel corticotropin-releasing factor 1 (CRF1) receptor antagonists, a series of bicyclic core analogs pyrrolo[1,2-b]pyridazines and pyrrolo[2,1-f]triazin-4(3H)-ones, which were designed based on a monocyclic core antagonist, was synthesized and evaluated. Among the compounds tested, 2-difluoromethoxy-4-methylpyridin-5-yl analog 27 was found to show efficacy in a dose-dependent manner in an elevated plus maze test in rats. The discovery process and structure-activity relationship is presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.015
• 作为产物：
  描述：

  ethyl 4-methyl-2-nitro-3-(2-oxopropyl)hexanoate 在 ammonium acetate 、 溶剂黄146 、 二氧化硫脲 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.5h， 生成 3-(1-methylpropyl)-5-methyl-1H-pyrrole
  参考文献：
  名称：

  Pyrrolo[1,2-b]pyridazines, pyrrolo[2,1-f]triazin-4(3H)-ones, and related compounds as novel corticotropin-releasing factor 1 (CRF1) receptor antagonists

  摘要：

  To identify structurally novel corticotropin-releasing factor 1 (CRF1) receptor antagonists, a series of bicyclic core analogs pyrrolo[1,2-b]pyridazines and pyrrolo[2,1-f]triazin-4(3H)-ones, which were designed based on a monocyclic core antagonist, was synthesized and evaluated. Among the compounds tested, 2-difluoromethoxy-4-methylpyridin-5-yl analog 27 was found to show efficacy in a dose-dependent manner in an elevated plus maze test in rats. The discovery process and structure-activity relationship is presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.015

文献信息

• METHODS FOR THE CONVERSION OF A SUBSTITUTED FURAN TO A SUBSTITUTED PYRROLE
  申请人：Kreischer Bruce E.

  公开号：US20120083609A1

  公开（公告）日：2012-04-05

  The present invention discloses processes for producing substituted pyrrole compounds, such as 2,5-disubstituted pyrroles. Synthetic processes which directly convert substituted furan compounds to substituted pyrrole compounds, via a reaction of the substituted furan compound with ammonia and/or an ammonium salt in the presence of a catalyst, also are described.

  本发明揭示了生产取代吡咯化合物的过程，例如2,5-二取代吡咯化合物。还描述了一种合成过程，该过程通过将取代呋喃化合物与氨和/或铵盐在催化剂存在下反应，直接转化为取代吡咯化合物。
• Preparation of an Olefin Oligomerization Catalyst
  申请人：Sydora Orson L.

  公开号：US20130150642A1

  公开（公告）日：2013-06-13

  This disclosure provides for new catalyst systems and new methods for preparing and using the catalyst systems for generating a trimerization product. In an aspect, the new catalyst systems comprise a chromium carboxylate that is prepared by anhydrous metathesis. In another aspect, the catalyst system comprise a chromium carboxylate that is prepared by anhydrous metathesis and a metal pyrrolide compound. The catalyst systems imparts improved performance and/or reduced catalyst system cost to an olefin trimerization process.

  本公开提供了新的催化剂系统和新的方法，用于制备和使用催化剂系统生成三聚物产物。在一个方面，新的催化剂系统包括通过无水交换反应制备的铬羧酸盐。在另一个方面，催化剂系统包括通过无水交换反应制备的铬羧酸盐和金属吡咯烷化合物。这些催化剂系统赋予烯烃三聚化过程改进的性能和/或降低了催化剂系统成本。
• Preparation of Transition Metal Carboxylates
  申请人：Sydora Orson L.

  公开号：US20130150605A1

  公开（公告）日：2013-06-13

  This disclosure provides a process for making transition metal carboxylate compositions by combining in an polar aprotic first solvent a transition metal precursor and a Group 1 or Group 2 metal carboxylate under substantially acid-free and substantially anhydrous conditions, to generate a mixture comprising the transition metal carboxylate composition. Optionally, the transition metal carboxylate composition can be purified, for example, by substantially removing the first solvent provide a residue comprising the transition metal carboxylate composition, and also optionally, further by extracting the transition metal carboxylate composition from the residue with a non-coordinating second solvent to provide an extract comprising the transition metal carboxylate composition.

  本公开提供了一种制备过渡金属羧酸盐组合物的方法，包括在极性无质子的第一溶剂中，在基本无酸和基本无水的条件下，将过渡金属前体和1组或2组金属羧酸盐组合，生成包含过渡金属羧酸盐组合物的混合物。可选地，可以通过基本去除第一溶剂来提纯过渡金属羧酸盐组合物，得到包含过渡金属羧酸盐组合物的残留物，还可以选择性地通过使用非配位的第二溶剂从残留物中提取过渡金属羧酸盐组合物，得到包含过渡金属羧酸盐组合物的提取物。
• BICYCLIC HETEROCYCLIC COMPOUND
  申请人：Saito Tetsuji

  公开号：US20100137318A1

  公开（公告）日：2010-06-03

  A compound of a formula (I): wherein R 1 represents a C3-10 branched alkyl group which may be substituted; R 2 represents a hydrogen atom or a C1-4 alkyl group which may be substituted; R 3 represents a C1-4 alkyl group which may be substituted or a halogen atom; R 4 represents a C1-4 alkyl group which may be substituted; and ring 1 represents a cyclic group which has planarity and may have a substituent group, a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof, is useful as a medicinal component having CRF antagonistic activity for the prevention and/or treatment of a neuropsychiatric disease, a peripheral organ disease and the like.

  化合物的化学式（I）：其中R1代表一个C3-10支链烷基，可以被取代; R2代表氢原子或C1-4烷基，可以被取代; R3代表C1-4烷基，可以被取代或卤素原子; R4代表C1-4烷基，可以被取代; 环1表示具有平面性且可能具有取代基团的环状基团，其盐，其N-氧化物或其溶剂化物，或其前药，可用作具有CRF拮抗活性的药物成分，用于预防和/或治疗神经精神疾病，外周器官疾病等。
• OLIGOMERIZATION CATALYST SYSTEM AND PROCESS FOR OLIGOMERIZING OLEFINS
  申请人：Sydora Orson L.

  公开号：US20100274065A1

  公开（公告）日：2010-10-28

  Among other things, this disclosure provides an olefin oligomerization system and process, the system comprising: a) a transition metal compound; b) a pyrrole compound having a hydrogen atom on at the 5-position or the 2- and 5-position of a pyrrole compound and having a bulky substituent located on each carbon atom adjacent to the carbon atom bearing a hydrogen atom at the 5-position or the 2- and 5-position of a pyrrole compound. These catalyst system have significantly improved productivities, selectivities to 1-hexene, and provides higher purity 1-hexene within the C 6 fraction than catalyst systems using 2,4-dimethylpyrrole.

  除其他事项外，本公开提供了一种烯烃寡聚化系统和过程，该系统包括：a）过渡金属化合物；b）在吡咯化合物的5-位置或2-和5-位置上具有氢原子并且在与5-位置或2-和5-位置的氢原子相邻的每个碳原子上具有笨重取代基的吡咯化合物。这些催化剂系统具有显着改善的产率、1-己烯的选择性，并且在C6分馏液中提供比使用2,4-二甲基吡咯的催化剂系统更高纯度的1-己烯。