1-(Benzenesulfonyl)-3-(3,4-dichlorophenyl)-3-[2-(oxan-2-yloxy)ethyl]piperidine | 193755-80-5

• 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: 1-(Benzenesulfonyl)-3-(3,4-dichlorophenyl)-3-[2-(oxan-2-yloxy)ethyl]piperidine
• CAS: 193755-80-5
• 化学式: C₂₄H₂₉Cl₂NO₄S
• 分子量: 498.471
• InChiKey: CLBMBUNTWYPWEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(Benzenesulfonyl)-3-(3,4-dichlorophenyl)-3-[2-(oxan-2-yloxy)ethyl]piperidine 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 1-(Phenylsulphonyl)-3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine
  参考文献：
  名称：

  4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor

  摘要：

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00343-3
• 作为产物：
  描述：

  2-(2-溴乙氧基)四氢吡喃 在 镍 dimethyl sulfide borane 、 氢气 、 sodium hydride 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(Benzenesulfonyl)-3-(3,4-dichlorophenyl)-3-[2-(oxan-2-yloxy)ethyl]piperidine
  参考文献：
  名称：

  4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor

  摘要：

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00343-3

文献信息

• 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS
  申请人：Pfizer Research and Development Company, N.V./S.A.

  公开号：EP0871623B1

  公开（公告）日：2003-02-12
• US6242438B1
  申请人：——

  公开号：US6242438B1

  公开（公告）日：2001-06-05
• 4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor
  作者：A.Roderick MacKenzie、Allan P. Marchington、Donald S. Middleton、Sandra D. Newman、Christopher N. Selway、Nicholas K. Terrett

  DOI：10.1016/s0960-894x(03)00343-3

  日期：2003.7

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.