1-M乙烷磺酰基哌啶-3-羧酸乙酯 | 349625-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-M乙烷磺酰基哌啶-3-羧酸乙酯
• 英文名称: ethyl 1-(methylsulfonyl)piperidine-3-carboxylate
• 英文别名: 1-(methylsulfonyl)piperidine-3-carboxylic acid ethyl ester；ethyl 1-methylsulfonylpiperidine-3-carboxylate
• CAS: 349625-89-4
• 化学式: C₉H₁₇NO₄S
• mdl: MFCD02861891
• 分子量: 235.304
• InChiKey: RERFXHAKRMBYIH-UHFFFAOYSA-N

物化性质

• 沸点：
  334.7±52.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  1-M乙烷磺酰基哌啶-3-羧酸乙酯 在 三氟化硼乙醚 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.75h， 生成 3-[bis(4-fluorophenyl)methylene]-1-(methylsulfonyl)piperidine
  参考文献：
  名称：

  Regioselective synthesis of 2-substituted 3-diarylmethylenylpiperidines

  摘要：

  A simple three-step synthetic routes toward 2-substituted 3-diarylmethylenylpiperidines 7 (Y = CN) and 8 (Y = allyl) starting with 3-diarylmethylenylpiperidines 9 is described. The process was carried out by the bromomethoxylation of skeleton 9 with NBS in MeOH at reflux for 2 h, regioselective alpha-dehydrobromination with DBU in THF at reflux for 10 h, and BF3-OEt(2)catalyzed cross-coupling of the corresponding enamine with trimethylsilyl-based nucleophiles (TMS-Y) in DCM at rt for 2 h. alpha-Amino ester 18 and beta-amino acid 19 are also synthesized via the simple three-step synthetic protocol. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.105
• 作为产物：
  描述：

  甲基磺酰氯 、 3-哌啶甲酸乙酯 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1-M乙烷磺酰基哌啶-3-羧酸乙酯
  参考文献：
  名称：

  Regioselective synthesis of 2-substituted 3-diarylmethylenylpiperidines

  摘要：

  A simple three-step synthetic routes toward 2-substituted 3-diarylmethylenylpiperidines 7 (Y = CN) and 8 (Y = allyl) starting with 3-diarylmethylenylpiperidines 9 is described. The process was carried out by the bromomethoxylation of skeleton 9 with NBS in MeOH at reflux for 2 h, regioselective alpha-dehydrobromination with DBU in THF at reflux for 10 h, and BF3-OEt(2)catalyzed cross-coupling of the corresponding enamine with trimethylsilyl-based nucleophiles (TMS-Y) in DCM at rt for 2 h. alpha-Amino ester 18 and beta-amino acid 19 are also synthesized via the simple three-step synthetic protocol. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.11.105

文献信息

• Beta secretase inhibitor
  申请人：Mimoto Tsutomu

  公开号：US20090198056A1

  公开（公告）日：2009-08-06

  The present invention relates to a compound of the formula (1): wherein R 1 is group of the formula (2): (wherein X is nitrogen atom or C(R 5 ), Y is nitrogen atom or C(R 6 ), R 5 and R 6 are each independently hydrogen atom, etc.) etc., m is 1 to 6, L 1 is single bond, etc., R 2 is hydrogen atom, substituted or unsubstituted alkyl group, etc., R 3 is hydrogen atom, etc., L 2 is single bond, etc., R 4 is hydrogen atom, substituted or unsubstituted aryl group, etc., or pharmaceutically acceptable salt thereof, being useful for preventing or treating Alzheimer's disease.

  本发明涉及一种化合物，其化学式为（1）：其中R1是化合物（2）的基团：（其中X是氮原子或C（R5），Y是氮原子或C（R6），R5和R6分别独立地是氢原子等），m为1到6，L1为单键等，R2为氢原子，取代或未取代的烷基等，R3为氢原子等，L2为单键等，R4为氢原子，取代或未取代的芳基等，或其药学上可接受的盐，可用于预防或治疗阿尔茨海默病。
• SECRETASE INHIBITOR
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1942101A1

  公开（公告）日：2008-07-09

  The present invention relates to a compound of the formula (1): wherein R1 is group of the formula (2): (wherein X is nitrogen atom or C(R5), Y is nitrogen atom or C(R6), R5 and R6 are each independently hydrogen atom, etc.) etc., m is 1 to 6, L1 is single bond, etc., R2 is hydrogen atom, substituted or unsubstituted alkyl group, etc., R3 is hydrogen atom, etc., L2 is single bond, etc., R4 is hydrogen atom, substituted or unsubstituted aryl group, etc., or pharmaceutically acceptable salt thereof, being useful for preventing or treating Alzheimer's disease.

  本发明涉及一种式 (1) 的化合物： 其中 R1 为式（2）的基团： (其中X为氮原子或C(R5)，Y为氮原子或C(R6)，R5和R6各自独立地为氢原子等）等，m为1至6，L1为单键等，R2为氢原子、取代或未取代的烷基等，R3为氢原子等，L2为单键等，R4为氢原子、取代或未取代的芳基等，或其药学上可接受的盐，可用于预防或治疗阿尔茨海默病。
• WO2007/29587
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis of diarylazepan-4-ones
  作者：Meng-Yang Chang、Yung-Hua Kung、Chih-Chong Ma

  DOI：10.1016/j.tetlet.2006.11.072

  日期：2007.1

  Synthesis of several 3,3-diarylazepan-4-ones and 5,5-diarylazepan-4-ones has been established starting from two tetrasubstituted olefins, which is derived from commercially available piperidine-3-carboxylic acid ethyl ester and piperidine-4-carboxylic acid ethyl ester. The single isomer with the structural skeleton of 3,3-diarylazepan-4-one and 5,5-diarylazepan-4-one is constructed in two functional group transformations of Grignard addition/dehydration and epoxidation/pinacol rearrangement. (c) 2006 Elsevier Ltd. All rights reserved.
• US7816387B2
  申请人：——

  公开号：US7816387B2

  公开（公告）日：2010-10-19