ethyl 1-ethyl-4-oxopiperidine-3-carboxylate | 99329-51-8

• 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: ethyl 1-ethyl-4-oxopiperidine-3-carboxylate
• 英文别名: 1-Ethyl-piperidin-4-on-3-carbonsaeure；1-ethyl-4-oxo-piperidine-3-carboxylic acid ethyl ester；1-Aethyl-4-oxo-piperidin-3-carbonsaeure-aethylester
• CAS: 99329-51-8
• 化学式: C₁₀H₁₇NO₃
• mdl: MFCD02765665
• 分子量: 199.25
• InChiKey: ZKACXIUSAAGGDH-UHFFFAOYSA-N

物化性质

• 沸点：
  289.2±35.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  ethyl 1-ethyl-4-oxopiperidine-3-carboxylate 生成 N-乙基-4-哌啶酮
  参考文献：
  名称：

  7-氯-4-（1-乙基-4-哌啶基氨基）-喹啉的合成（SN-13,425）。

  摘要：

  DOI：

  10.1021/ja01211a028
• 作为产物：
  描述：

  3-溴丙酸乙酯 在 sodium hydride 、 三乙胺 作用下， 以 乙醇 、 甲苯 、 乙腈 为溶剂， 生成 ethyl 1-ethyl-4-oxopiperidine-3-carboxylate
  参考文献：
  名称：

  Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production

  摘要：

  Novel 4,5,6,7-tetraliydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-alpha in rat whole blood. Several of these compounds exhibited potent inhibitory activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00228-7

文献信息

• 151. Experiments on the synthesis of substances related to the sterols. Part XLVI. The synthetic use of 4-keto-1 : 1-dialkylpiperidinium salts
  作者：H. M. E. Cardwell、F. J. McQuillin

  DOI：10.1039/jr9490000708

  日期：——
• Titanium Mediated Cyclization of N-Substituted Di(β-Carbethoxyethyl)amines: Preparation of 1-Substituted-3-carbethoxy-4-piperidones
  作者：M. N. Deshmukh、U. Sampath Kumar、A. V. Rama Rao

  DOI：10.1080/00397919508010804

  日期：1995.1

  Dieckmann cyclisation of N-substituted di(beta - carbethoxyethyl)amines with titanium tetrachloride in DCM in the presence of triethylamine leads to the formation of 3-carbethoxy-4-piperidones.
• Methyllycaconitine analogues have mixed antagonist effects at nicotinic acetylcholine receptors
  作者：David Barker、Diana H.-S. Lin、Jane E. Carland、Cindy P.-Y. Chu、Mary Chebib、Margaret A. Brimble、G. Paul Savage、Malcolm D. McLeod

  DOI：10.1016/j.bmc.2005.04.054

  日期：2005.7

  Bicyclic analogues of methyllycaconitine (MLA), such as 12, have been synthesised that incorporate the C1-OMe substituent present in the natural product. Electrophysiology experiments using Xenopus oocytes expressing nicotinic acetylcholine receptors (nAChRs) were conducted on these analogues and a related tricyclic analogue 2. The most potent compound, 2, was an antagonist at all receptors studied but displayed different antagonist effects at each receptor subtype. This study more clearly defines the biological effects of MLA analogues at nAChRs and demonstrates that these analogues are not selective ligands for the alpha 7 nAChR subtype. (c) 2005 Elsevier Ltd. All rights reserved.
• Tetrahydropyridines and method of manufacture
  申请人：HOFFMANN LA ROCHE

  公开号：US02537854A1

  公开（公告）日：1951-01-09