3,3-dimethyl-N-ethylpiperidine | 40584-39-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3,3-dimethyl-N-ethylpiperidine
• 英文别名: 1-Ethyl-3,3-dimethylpiperidine
• CAS: 40584-39-2
• 化学式: C₉H₁₉N
• 分子量: 141.257
• InChiKey: QSVXTJIEUKCBMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  3,3-dimethyl-N-ethylpiperidine 、 碘甲烷 在 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39

  摘要：

  Here, we report the synthesis and structure of three high-silica molecular sieves, SSZ-35, SSZ-36, and SSZ-39, that are prepared from a library of 37 different cyclic and polycyclic quaternized amine molecules that are used as structure-directing agents (SDAs). The size and shape of the quaternized amine molecules are purposely designed in order to obtain novel zeolite structures, and the synthesis of these molecules is presented. The selectivity for the three molecular sieve phases is found to depend on both the SDA and the degree of heteroatom lattice substitution of Al3+ or B3+ in the silicate framework. Molecular modeling is utilized to probe the effects of the nonbonded SDA/zeolite-framework interaction energy on the selectivity for the observed molecular sieve phase. The Rietveld refinement of the powder X-ray data confirms the structure of the SSZ-39 zeolite to be isomorphous with the aluminophosphate molecular sieve, SAPO-LS (AEI). The structure of SSZ-36 is found to possess a range of fault probabilities between the two-dimensional channel system, end-member polymorphs, ITQ-3 and RUB-13 (International Zeolite Association Codes ITE and RTH, respectively). The SSZ-35 structure is reported to contain a one-dimensional pore system possessing stacked cages circumscribed by alternating rings of 10 and 18 tetrahedral atoms (10- and 18-membered rings).

  DOI：

  10.1021/ja990722u
• 作为产物：
  描述：

  3,3-二甲基哌啶 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 36.0h， 生成 3,3-dimethyl-N-ethylpiperidine
  参考文献：
  名称：

  Eclipsed Conformation of the Exocyclic N−CH₂ Bond in N-Neopentylpiperidines and the Stereodynamic Consequences As Studied by Dynamic NMR Spectroscopy and Molecular Mechanics Calculations

  摘要：

  The dynamic stereochemistry of a range of N-neopentylpiperidines 1 with an eclipsed N-CH2-t-Bu bond is compared with that of the corresponding range of N-ethylpiperidines 2 with a gauche N-CH2Me bond. By using dynamic NMR spectroscopy, the relative importance of ring inversion, exocyclic bond rotation, and nitrogen inversion are elucidated and barriers are reported and discussed. Minor populations of the neopentyl-axial-eclipsed conformation are detected directly and identified with the help of molecular mechanics calculations. The corresponding N-alkylpyrrolidines are also reported.

  DOI：

  10.1021/jo9720344

文献信息

• NOVEL COMPOUNDS
  申请人：Buttar David

  公开号：US20080153812A1

  公开（公告）日：2008-06-26

  There is provided a compound of formula (I): or a pharmaceutically acceptable salt thereof. There are also provided processes for the manufacture of a compound of Formula 1, and the use of a compound of Formula 1 as a medicament and in the treatment of cancer.

  提供了一个式(I)的化合物，或其药用可接受的盐。还提供了制备式1化合物的方法，以及将式1化合物用作药物和用于癌症治疗的用途。
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040214837A1

  公开（公告）日：2004-10-28

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体介导相关疾病中的用途。
• Benzimidazole and Pyridylimidazole Derivatives
  申请人：Li Guiying

  公开号：US20080227793A1

  公开（公告）日：2008-09-18

  This invention relates to benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds, all of which may be described by of Formula I The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Novel processes for preparing compounds of Formula I are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  本发明涉及苯并咪唑、吡啶咪唑和相关的双环杂芳烃化合物，所有这些化合物都可以用公式I描述。本发明特别涉及与GABAA受体的苯二氮卓位点具有高选择性和高亲和力的这种化合物。本发明还涉及包含这种化合物的制药组合物以及在治疗某些中枢神经系统（CNS）疾病中使用这种化合物的用途。还公开了制备公式I化合物的新方法。本发明还涉及将公式I的苯并咪唑、吡啶咪唑和相关的双环杂芳烃化合物与一个或多个其他CNS药剂联合使用以增强其他CNS药剂的效果。此外，本发明还涉及将这些化合物用作定位组织切片中的GABAA受体的探针。
• CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Griffith A. David

  公开号：US20070275964A1

  公开（公告）日：2007-11-29

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein.

  本文描述了化学式为(I)的化合物，它们作为大麻素受体配体并在动物中治疗与大麻素受体介导相关的疾病中的用途。
• Crf Receptor Antagonists and Methods
  申请人：Luo Zhiyong

  公开号：US20070293511A1

  公开（公告）日：2007-12-20

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , Y, Ar, and Het are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了具有治疗多种疾病的用途的CRF受体拮抗剂，包括治疗在恒温动物中表现为CRF过度分泌的疾病，如中风。本发明的CRF受体拮抗剂具有以下结构：包括立体异构体、前药和药学上可接受的盐，其中R1、R2、R3、Y、Ar和Het的定义如本文所述。还揭示了含有CRF受体拮抗剂和药学上可接受的载体的组合物，以及使用它们的方法。