tert-butyl 4-(4-methoxybenzylidene)piperidine-1-carboxylate | 835595-62-5

• 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: tert-butyl 4-(4-methoxybenzylidene)piperidine-1-carboxylate
• 英文别名: Tert-butyl 4-[(4-methoxyphenyl)methylidene]piperidine-1-carboxylate；tert-butyl 4-[(4-methoxyphenyl)methylidene]piperidine-1-carboxylate
• CAS: 835595-62-5
• 化学式: C₁₈H₂₅NO₃
• 分子量: 303.401
• InChiKey: IKLGYLFGXMTLAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-methoxybenzylidene)piperidine-1-carboxylate 生成 4-(4-methoxy-benzylidene)-piperidine hydrochloride
  参考文献：
  名称：

  Aromaheterocyclic derivatives as dopamine D4 receptor antagonists

  摘要：

  公开号：

  EP1207159B1
• 作为产物：
  描述：

  4-甲氧基氯苄 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 14.0h， 生成 tert-butyl 4-(4-methoxybenzylidene)piperidine-1-carboxylate
  参考文献：
  名称：

  亚芳基环烷烃的自由基阳离子 Diels-Alder 反应

  摘要：

  描述了亚芳基环烷烃的TiO 2光电化学和电化学自由基阳离子 Diels-Alder 反应，从而构建了螺环系统。尽管机理仍然是一个悬而未决的问题，但发现亚芳基环丁烷在反应中比其他环烷烃更有效。由于反应以亚化学计量的电量完成，因此可能涉及自由基阳离子链途径。

  DOI：

  10.3762/bjoc.18.112

文献信息

• CCR5 antagonists as anti-HIV-1 agents. Part 3: Synthesis and biological evaluation of piperidine-4-carboxamide derivatives
  作者：Shinichi Imamura、Youichi Nishikawa、Takashi Ichikawa、Taeko Hattori、Yoshihiro Matsushita、Shohei Hashiguchi、Naoyuki Kanzaki、Yuji Iizawa、Masanori Baba、Yoshihiro Sugihara

  DOI：10.1016/j.bmc.2004.10.013

  日期：2005.1

  Replacement of the 5-oxopyrrolidin-3-yl fragment in the previously reported lead structure with a 1-acetylpiperidin-4-yl group led to the discovery of a novel series of potent CCR5 antagonists. Introduction of small hydrophobic substituents on the central phenyl ring increased the binding affinity, providing low to sub-nanomolar CCR5 antagonists. The selected compound 11f showed excellent antiviral activity against CCR5-using HIV-1 replication in human peripheral blood mononuclear cells (EC50 = 0.59 nM) and an acceptable pharmacokinetic profile in dogs. (C) 2004 Elsevier Ltd. All rights reserved.
• [EN] FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS PYRIDINE FONDUS, EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014072930A2

  公开（公告）日：2014-05-15

  The present invention relates to fused pyridine derivatives of formula (1) which may be therapeutically useful as as anti-bacterial agents, more particulalrly FabI inhibitors, in which P, Q, R1, R2, R3 and "n" have the same meanings given in the specification, and pharmaceutically acceptable salts and stereoisomers thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage in inhibiting Enoyl-ACP reductase enzyme (FABI) activity. The present invention also provides methods for synthesizing and administering the FabI inhibitory compounds. The present invention also provides pharmaceutical formulations comprising at least one of the FabI inhibitory compounds together with a pharmaceutically acceptable carrier, diluent or excipient therefor.