2-(1-pyrrolidinyl)-3-methyl-1-butene | 1806-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-(1-pyrrolidinyl)-3-methyl-1-butene
• 英文别名: 2-N-pyrrolidino-3-methyl-1-butene；Pyrrolidine, 1-(2-methyl-1-methylenepropyl)-；1-(3-methylbut-1-en-2-yl)pyrrolidine
• CAS: 1806-12-8
• 化学式: C₉H₁₇N
• 分子量: 139.241
• InChiKey: ZJWQYMOIDABTRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,8-dimethylcyclohepta[b]furan-2(2H)-one 、 2-(1-pyrrolidinyl)-3-methyl-1-butene 以 甲苯 、 叔丁醇 为溶剂， 以80%的产率得到岩兰草天蓝烃
  参考文献：
  名称：

  From Phenols to Azulenes: An Extended and Versatile Route to Polyalkylated Azulenes with Variable Substitution Patterns at the Seven- and Five-membered Ring

  摘要：

  通过动态气相热异构化（DGPTI）将多烷基苯基丙醇酸酯转化为多烷基环庚基[b]呋喃-2(2H)-酮，可以轻松制备多烷基化偶氮烯。后者与烯醇醚或烯胺发生热反应，生成相应的偶氮烯。烯胺可由相应的酰胺类物质就地生成，尤其是在由于烯胺的高反应性而难以获得纯烯胺的情况下。

  DOI：

  10.1055/s-2002-25363
• 作为产物：
  描述：

  四氢吡咯 、 3-甲基-2-丁酮 在 四氯化钛 作用下， 以 正己烷 为溶剂， 生成 2-(1-pyrrolidinyl)-3-methyl-1-butene
  参考文献：
  名称：

  New, General, and Practical Enamine Cyclopropanation Using Dichloromethane

  摘要：

  Dichloromethane serves as a novel electrophilic carbene equivalent which adds to an enamine double bond. The presence of other alkene moieties in the enamine partner is well tolerated. Even enamines derived from sterically hindered ketones react readily with dichloromethane promoted by TiCl4-Mg.

  DOI：

  10.1021/ol0604365
• 作为试剂：
  描述：

  3-tert-butyl-6-oxo-1-cyclohexene-1-carboxaldehyde 在 盐酸 、 2-(1-pyrrolidinyl)-3-methyl-1-butene 作用下， 生成 4-tert-butyl-2-(hydroxymethylene)-3-cyclohexen-1-one
  参考文献：
  名称：

  Annulation of 2-formyl-2-cyclohexenones by reaction with enamines

  摘要：

  DOI：

  10.1016/s0040-4039(00)84282-3

文献信息

• New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20180044335A1

  公开（公告）日：2018-02-15

  The present invention encompasses compounds of general formula (I) wherein the groups R 1 to R 9 , X 1 and X 2 have the meanings given in the claims and in the specification. The compounds of the invention are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation, e.g. cancer, pharmaceutical preparations containing such compounds and their uses as a medicament.

  本发明涵盖了一般式（I）的化合物，其中基团R1至R9，X1和X2的含义如权利要求和说明书中所述。本发明的化合物适用于治疗由细胞过度或异常增殖所特征化的疾病，例如癌症，含有这种化合物的制药制剂以及它们作为药物的用途。
• [EN] NOVEL OXADIAZOLES<br/>[FR] NOUVEAUX OXADIAZOLES
  申请人：PI INDUSTRIES LTD

  公开号：WO2020070610A1

  公开（公告）日：2020-04-09

  The present invention relates to novel compound of Formula I, wherein, R1, A1, A2, A3, A4, A5, L1, A, L2 and R2 are as defined in the detailed description. The present invention also relates to a combination or a composition comprising the compound of Formula I.

  本发明涉及公式I的新化合物，其中，R1、A1、A2、A3、A4、A5、L1、A、L2和R2的定义如详细描述中所述。本发明还涉及包含公式I化合物的组合物或组成物。
• [EN] SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS<br/>[FR] 2-QUINOLYLE-OXAZOLES SUBSTITUÉS UTILES COMME INHIBITEURS DU PDE4
  申请人：SCHERING CORP

  公开号：WO2005116009A1

  公开（公告）日：2005-12-08

  The invention claims compounds of the: (formula I); wherein: (formula II) is a 5-membered heteroaryl; X is S or O; R1 is H, alkyl, cycloalkyl, cylcoalkylalkyl-, -CH2F, -CHF2, -CF3, -C(O)alkyl or -C(O)NR18R19; R3 and R4 H, alkyl, hydroxyalkyl or -C(O)Oalkyl; R5 and R6 are H, alkyl, hydroxyalkyl, alkoxyalkyl, mercaptoalkyl, -CH2F, -CHF2, -CF3, -C(O)OH or -C(O)Oalkyl; R7 is H, alkyl, alkenyl, hydroxyalkyl, cycloalkyl, alkoxyalkyl, aminoalkyl, (R17-phenyl)alkyl or -CH2-C(O)-O-alkyl; and R8 comprises alkyl, heteroaryl, phenyl or cycloalkyl, or heterocycloalkyl, all optionally substituted, or a cycloalkyl- or heterocycloalkyl-substituted amide; or R7 and R8 and the nitrogen to which they are attached together form an optionally substituted ring; and the remaining variables are as defined in the specification. Also claimed are pharmaceutical compositions, the use of the compounds as PDE4 inhibitors, and combinations with other actives.

  该发明声明了以下化合物：(化学式I)；其中：(化学式II)是一种5-成员杂环芳基；X为S或O；R1为H，烷基，环烷基，环烷基烷基，-CH2F，-CHF2，-CF3，-C(O)烷基或-C(O)NR18R19；R3和R4为H，烷基，羟基烷基或-C(O)O烷基；R5和R6为H，烷基，羟基烷基，烷氧基烷基，巯基烷基，-CH2F，-CHF2，-CF3，-C(O)OH或-C(O)O烷基；R7为H，烷基，烯基，羟基烷基，环烷基，烷氧基烷基，氨基烷基，(R17-苯基)烷基或-CH2-C(O)-O-烷基；R8包括烷基，杂环芳基，苯基或环烷基，或杂环烷基，均可选择性取代，或环烷基或杂环烷基取代的酰胺；或R7和R8及它们附着的氮一起形成一个可选择性取代的环；其余变量如规范中所定义。还声明了药物组合物，将这些化合物用作PDE4抑制剂，并与其他活性物质组合使用。
• SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS
  申请人：Ventirx Pharmaceuticals, Inc.

  公开号：EP3159337A2

  公开（公告）日：2017-04-26

  Provided are compositions and methods useful for modulation of signaling through the Toll-like receptors TLR7 and/or TLR8. The compositions and methods have use in treating or preventing disease, including cancer, autoimmune disease, infectious disease, inflammatory disorder, graft rejection, and graft-verses-host disease.

  本文提供了用于调节通过 Toll 样受体 TLR7 和/或 TLR8 发出的信号的组合物和方法。这些组合物和方法可用于治疗或预防疾病，包括癌症、自身免疫性疾病、传染病、炎症性疾病、移植物排斥和移植物抗宿主疾病。
• PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3252049A1

  公开（公告）日：2017-12-06

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式 (I) 的化合物： 或其立体异构体、同系物或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性 ROCK 抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗心血管、平滑肌、肿瘤、神经病理、自身免疫、纤维化和/或炎症性疾病的方法。