(S)-2-(3-Fluoro-phenylsulfanylmethyl)-pyrrolidine | 182323-96-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (S)-2-(3-Fluoro-phenylsulfanylmethyl)-pyrrolidine
• 英文别名: (2S)-2-[(3-fluorophenyl)sulfanylmethyl]pyrrolidine
• CAS: 182323-96-2
• 化学式: C₁₁H₁₄FNS
• 分子量: 211.303
• InChiKey: WMVPUHYIOVSRAW-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 (S)-2-(3-Fluoro-phenylsulfanylmethyl)-pyrrolidine 在 甲酸 作用下， 以 水 为溶剂， 生成 (S)-2-(3-Fluoro-phenylsulfanylmethyl)-1-methyl-pyrrolidine
  参考文献：
  名称：

  2-(Aryloxymethyl) azacyclic analogues as novel nicotinic acetylcholine receptor (nAChR) ligands

  摘要：

  A series of 2-(aryloxymethyl) azetidine and pyrrolidine nAChR ligands in which the 3-pyridyl moiety of a previously described series(1) was replaced by a substituted phenyl group was explored. Aromatic substitution afforded analogues with K-i values ranging from 3 Co >10,000 nM. Generally, substitution at the ortho- and para-position was unfavorable, whereas electron-withdrawing groups at the meta-position improved the Ki values. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00416-7
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-2-(3-Fluoro-phenylsulfanylmethyl)-pyrrolidine
  参考文献：
  名称：

  2-(Aryloxymethyl) azacyclic analogues as novel nicotinic acetylcholine receptor (nAChR) ligands

  摘要：

  A series of 2-(aryloxymethyl) azetidine and pyrrolidine nAChR ligands in which the 3-pyridyl moiety of a previously described series(1) was replaced by a substituted phenyl group was explored. Aromatic substitution afforded analogues with K-i values ranging from 3 Co >10,000 nM. Generally, substitution at the ortho- and para-position was unfavorable, whereas electron-withdrawing groups at the meta-position improved the Ki values. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00416-7

文献信息

• 2-(Aryloxymethyl) azacyclic analogues as novel nicotinic acetylcholine receptor (nAChR) ligands
  作者：Richard L. Elliott、Hana Kopecka、David E. Gunn、Nan-Horng Lin、David S. Garvey、Keith B. Ryther、Mark W. Holladay、David J. Anderson、Jeffrey E. Campbell、James P. Sullivan、Michael J. Buckley、Karen L. Gunther、Alyssa B. O'Neill、Michael W. Decker、Stephen P. Arnerić

  DOI：10.1016/0960-894x(96)00416-7

  日期：1996.10

  A series of 2-(aryloxymethyl) azetidine and pyrrolidine nAChR ligands in which the 3-pyridyl moiety of a previously described series(1) was replaced by a substituted phenyl group was explored. Aromatic substitution afforded analogues with K-i values ranging from 3 Co >10,000 nM. Generally, substitution at the ortho- and para-position was unfavorable, whereas electron-withdrawing groups at the meta-position improved the Ki values. Copyright (C) 1996 Elsevier Science Ltd