1-丙基-2-吡咯烷酮 | 3470-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-丙基-2-吡咯烷酮
• 中文别名: N-正丙基吡咯烷酮
• 英文名称: 1-propyl-2-pyrrolidinone
• 英文别名: N-propyl-2-pyrrolidone；1-(3-propyl)-pyrrolidin-2-one；1-Propylpyrrolidin-2-one
• CAS: 3470-99-3
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: DCALJVULAGICIX-UHFFFAOYSA-N

物化性质

• 熔点：
  53-54 °C
• 沸点：
  117-120 °C(Press: 23 Torr)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933790090
• 储存条件：
  存储条件：2-8°C，密封保存并确保干燥。

反应信息

• 作为反应物：
  描述：

  1-丙基-2-吡咯烷酮 在 platinum(IV) oxide 氢气 、 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 、 苯 为溶剂， -80.0~20.0 ℃ 、275.8 kPa 条件下， 反应 0.33h， 生成 1-propyl-3-(tricyclo[3.3.1.1^3,7]dec-2-yl)-2-pyrrolidinone
  参考文献：
  名称：

  Synthesis, conformational characteristics and anti-influenza virus A activity of some 2-adamantylsubstituted azacycles

  摘要：

  The broad-spectrum antiviral activity of 2-(2-adamantyl)piperidines 11, 13a,b, and 15, 3-(2-adamantyl)pyrrolidines 27, 21a-g and 2-(2-adamantylmethyl)piperidines 30, 32a-c, and 35a-d was examined. Several compounds in the new series were potent against influenza A H3N2 virus. When 1-aminoethyl pharmacophore group of 2-rimantadine 4 (2-isomer of rimantadine) is included into a saturated nitrogen heterocycle, see compound 11, potency was retained. The diamine derivatives 21e-g and particularly 35a-c possessing three pharmocophoric groups, that is, the adamantyl and the two amine groups, exhibited high potency. The new compounds did not afford specific activity at non-toxic concentrations against any of the other viruses tested. According to NMR spectroscopy and molecular mechanics calculations it is striking that the parent structures 11 and 27 adopt a fixed trans conformation around C2-C2' bond. In the parent amines, which proved to be active compounds, the distance between nitrogen and adamantyl pharmacophoric groups was different; N-C2' distance is 3.7, 3.8 angstrom for 27, 30 and 2.5 angstrom for 11 suggesting that M2 receptor site can accommodate different in size and orientation lipophilic cages. (c) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2006.05.004
• 作为产物：
  描述：

  1-(烯丙基)吡咯烷-2-酮 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以94%的产率得到1-丙基-2-吡咯烷酮
  参考文献：
  名称：

  甲酸铵/碳载钯：碳-碳双键催化氢转移还原的多功能系统

  摘要：

  以甲酸铵为氢转移剂，Pd/C为催化剂，甲醇回流。

  DOI：

  10.1055/s-2003-41024

文献信息

• Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith
  申请人：D'Sidocky Neil R.

  公开号：US20080242694A1

  公开（公告）日：2008-10-02

  Provided herein are Heterocyclic Compounds having the following structure: wherein R 1 , R 2 , X, Y and Z are as defined herein, compositions comprising an effective amount of a Heterocyclic Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, metabolic conditions and conditions treatable or preventable by inhibition of a kinase pathway comprising administering an effective amount of a Heterocyclic Compound to a patient in need thereof.

  本文提供具有以下结构的杂环化合物： 其中R1、R2、X、Y和Z如本文所定义，包含有效量杂环化合物的组合物，以及治疗或预防癌症、炎症性疾病、免疫疾病、代谢性疾病以及通过给予患者需要的有效量杂环化合物来抑制激酶途径治疗或预防的疾病的方法。
• Methods for treating an inflammatory condition or inhibiting JNK
  申请人：——

  公开号：US20040127536A1

  公开（公告）日：2004-07-01

  This invention is generally directed to Indazole Derivatives having the following structure: 1 or pharmaceutically acceptable salt thereof, wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of diseases and disorders that are responsive to JNK inhibition, such as an inflammatory disease or disorder. Thus, methods of treating such diseases and disorders are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  这项发明通常涉及吲唑衍生物，具有以下结构： 1 或药用可接受的盐，其中R 1 ，R 2 和A如本文所述定义。这类化合物在治疗对JNK抑制剂有响应的广泛疾病和障碍，如炎症性疾病或障碍中具有用途。因此，还披露了治疗这些疾病和障碍的方法，以及包含一个或多个上述化合物的药物组合物。
• Indazole compounds, compositions thereof and methods of treatment therewith
  申请人：Bhagwat S. Shripad

  公开号：US20050009876A1

  公开（公告）日：2005-01-13

  This invention is generally directed to the use of Indazole Compounds for treating or preventing diseases associated with protein kinases, including tyrosine kinases, such as proliferative diseases, inflammatory diseases, abnormal angiogenesis and diseases related thereto, atherosclerosis, macular degeneration, diabetes, obesity, pain and others. The methods comprise the administration to a patient in need thereof of an effective amount of an indazole compound that inhibits, modulates or regulates tyrosine kinase signal transduction. Novel indazole compounds or pharmaceutically acceptable salt thereof are presented herein.

  这项发明通常涉及使用吲唑化合物来治疗或预防与蛋白激酶相关的疾病，包括酪氨酸激酶，诸如增殖性疾病、炎症性疾病、异常血管生成及其相关疾病、动脉硬化、黄斑变性、糖尿病、肥胖、疼痛等。这些方法包括向有需要的患者施用有效量的吲唑化合物，以抑制、调节或控制酪氨酸激酶信号转导。本文中提供了一种新型的吲唑化合物或其药用可接受的盐。
• Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders
  申请人：Wyeth

  公开号：US20040014798A1

  公开（公告）日：2004-01-22

  The present invention provides methods of treating skin disorders includes delivering to a mammal a composition containing a compound of formula I, or tautomers thereof, in a regimen, wherein formula I is: 1 and wherein R 1 -R 5 and Q 1 are defined as described herein. Specifically, methods for treating acne, hirsutism, and conditioning the skin are described. Also provided are novel PR modulators of formula II.

  本发明提供了治疗皮肤疾病的方法，包括向哺乳动物输送含有式I化合物或其互变异构体的组合物，其中式I为： 1 其中R 1 -R 5 和Q 1 如本文所述。具体描述了治疗痤疮、多毛症和调理皮肤的方法。还提供了式II的新型PR调节剂。
• Novel Pyrrolinium-based Ionic Liquids for Lithium Ion Batteries: Effect of the Cation on Physicochemical and Electrochemical Properties
  作者：Hyung-Tae Kim、Oh Min Kwon、Junyoung Mun、Seung M. Oh、Taeeun Yim、Young Gyu Kim

  DOI：10.1016/j.electacta.2017.04.078

  日期：2017.6

  enhance the safety properties of LIBs, novel pyrrolinium-based ionic liquids (ILs) were proposed as an alternative electrolyte to the current carbonate electrolyte, which have some task-specific functional groups, i.e., a planar CN double bond, a C-O ether linkage, and no unstable C-H bond, designed to improve their electrochemical performances as well as the physicochemical properties. As a result, the

  锂离子电池（LIB）是最有前途的能量转换/存储系统之一，但应改善LIB中当前电解质的低热稳定性，以扩展其潜在应用。为了提高LIB的安全性，提出了一种新型的吡咯基离子液体（ILs）作为目前碳酸盐电解质的替代电解质，该电解质具有一些特定任务的官能团，即平面C N双键，CO醚连接，并且没有不稳定的CH键，旨在改善其电化学性能以及理化性质。结果，与已知IL相比，基于吡咯鎓的IL显示出大大改善的物理化学和电化学性质。在准备好的IL中，N-双烯丙基-2-甲氧基吡咯鎓双（氟磺酰基）酰亚胺（A（OMe）Pyrl-FSI，4）显示出高离子电导率（10.2 mS cm -1），非常好的循环性能（50次循环后保留率为99.3％）使用LiFePO 4电极，锂离子的转移数大大提高（0.19）。IL 4在5 C速率下还具有显着的速率能力，保留率为81.2％（124.8 mA h g -1），而在0.1 C速率下的初始放电容量为153