R-(-)-N-benzyl-3-ethylpyrrolidine | 74650-57-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: R-(-)-N-benzyl-3-ethylpyrrolidine
• 英文别名: 1-benzyl-4-ethylpyrrolidine；(3R)-1-benzyl-3-ethylpyrrolidine
• CAS: 74650-57-0
• 化学式: C₁₃H₁₉N
• 分子量: 189.301
• InChiKey: VMUOXMZAVAFFRR-GFCCVEGCSA-N

物化性质

• 沸点：
  110 °C(Press: 6 Torr)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  R-(-)-N-benzyl-3-ethylpyrrolidine 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以0.8 g的产率得到R-(+)-3-ethylpyrrolidine
  参考文献：
  名称：

  Bettoni, Giancarlo; Cellucci, Carla; Berardi, Francesco, Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 603 - 605

  摘要：

  DOI：
• 作为产物：
  描述：

  (R)-2-Ethylbutannedioic acid 在 lithium aluminium tetrahydride 、 三溴化磷 作用下， 以 吡啶 、 乙醚 、 乙醇 为溶剂， 反应 10.0h， 生成 R-(-)-N-benzyl-3-ethylpyrrolidine
  参考文献：
  名称：

  Bettoni, Giancarlo; Cellucci, Carla; Berardi, Francesco, Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 603 - 605

  摘要：

  DOI：

文献信息

• γ- and δ-Lactams through Palladium-Catalyzed Intramolecular Allylic Alkylation: Enantioselective Synthesis, NMR Investigation, and DFT Rationalization
  作者：Xavier Bantreil、Guillaume Prestat、Aitor Moreno、David Madec、Peter Fristrup、Per-Ola Norrby、Paul S. Pregosin、Giovanni Poli

  DOI：10.1002/chem.201001300

  日期：2011.3.1

  give γ‐ and δ‐lactams has been studied in the presence of chiral ligands. Ligand (R)‐3,5‐tBu‐MeOBIPHEP (MeOBIPHEP=6,6’‐dimethoxybiphenyl‐2,2‐diyl)bis(diphenylphosphine)) afforded the best results and allowed the cyclization reactions to take place in up to 94:6 enantiomeric ratio. A model Pd–allyl complex has been prepared and studied through NMR spectroscopic analysis, which provided insight into the

  在手性配体存在下，对钯催化的不饱和酰胺的分子内烯丙基烷基化反应生成γ-和δ-内酰胺进行了研究。配体（R）-3,5- t Bu-MeOBIPHEP（MeOBIPHEP = 6,6'-二甲氧基联苯-2-2,2-二基）双（二苯基膦））提供了最佳结果，并使环化反应可在多达94个条件下进行：6对映体比率。制备了钯-烯丙基复合物模型，并通过NMR光谱分析进行了研究，该分析提供了对观察到的对映体比率负责的过程的见解。DFT研究用于表征非对映异构反应途径。计算出的能量差与实验观察到的对映体比率非常吻合。
• Aryl cyclopropyl-amino-isoquinolinyl amide compounds
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US11312700B2

  公开（公告）日：2022-04-26

  Provided herein are arylcyclopropyl amino-isoquinoline amide compounds. In particular, the disclosure provides compounds that affect the function of kinases in a cell and that are useful as therapeutic agents or with therapeutic agents. The compounds of the disclosure are useful in the treatment of a variety of diseases and conditions including eye diseases such as glaucoma, cardiovascular diseases, diseases characterized by abnormal growth, such as cancers, and inflammatory diseases. The disclosure further provides compositions containing isoquinoline amide compounds.

  本文提供的是芳基环丙基氨基异喹啉酰胺化合物。特别是，本公开提供的化合物可影响细胞中激酶的功能，并可作为治疗剂或与治疗剂一起使用。本公开的化合物可用于治疗多种疾病和病症，包括眼部疾病（如青光眼）、心血管疾病、以异常生长为特征的疾病（如癌症）以及炎症性疾病。本公开进一步提供了含有异喹啉酰胺化合物的组合物。
• BETTONI G.; CELLUCCI C.; BERARDI F., J. HETEROCYCL. CHEM., 1980, 17, NO 3, 603-605
  作者：BETTONI G.、 CELLUCCI C.、 BERARDI F.

  DOI：——

  日期：——
• Novel Azaindole Inhibitors of Mtp and Apob
  申请人：Guevel Alyx Caroline

  公开号：US20090036481A1

  公开（公告）日：2009-02-05

  The present invention relates to 7-azaindole-based compounds, to processes for the preparation thereof, to pharmaceutical compositions comprising them, and to the use thereof in the preparation of medicaments that are useful as inhibitors of MTP and of ApoB secretion.
• ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20210002253A1

  公开（公告）日：2021-01-07

  Provided herein are arylcyclopropyl amino-isoquinoline amide compounds. In particular, the disclosure provides compounds that affect the function of kinases in a cell and that are useful as therapeutic agents or with therapeutic agents. The compounds of the disclosure are useful in the treatment of a variety of diseases and conditions including eye diseases such as glaucoma, cardiovascular diseases, diseases characterized by abnormal growth, such as cancers, and inflammatory diseases. The disclosure further provides compositions containing isoquinoline amide compounds.