4-[[2 (4 Chlorophenyl)-2 oxoethyl]thio]-piperidine | 156756-73-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[2 (4 Chlorophenyl)-2 oxoethyl]thio]-piperidine
• 英文别名: 1-(4-Chlorophenyl)-2-piperidin-4-ylsulfanylethanone
• CAS: 156756-73-9
• 化学式: C₁₃H₁₆ClNOS
• 分子量: 269.795
• InChiKey: HBEYHZSTFCWOTD-UHFFFAOYSA-N

物化性质

• 沸点：
  426.4±45.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯苯肼 、 4-[[2 (4 Chlorophenyl)-2 oxoethyl]thio]-piperidine 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 5-Chloro-2-(4-chlorophenyl)-3-(piperidin-4-ylthio)-1H indole
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5
• 作为产物：
  描述：

  1-甲基-4-巯基哌啶 在 sodium methylate 、 氯甲酸乙酯 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 4-[[2 (4 Chlorophenyl)-2 oxoethyl]thio]-piperidine
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5

文献信息

• DERIVES DE PIPERIDINYL THIO INDOLE COMME ANTALGIQUES
  申请人：LABORATOIRES UPSA

  公开号：EP0699195A1

  公开（公告）日：1996-03-06
• US5317025A
  申请人：——

  公开号：US5317025A

  公开（公告）日：1994-05-31
• US5418242A
  申请人：——

  公开号：US5418242A

  公开（公告）日：1995-05-23
• [EN] THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS<br/>[FR] DERIVES DE PIPERIDINYL THIO INDOLE COMME ANTALGIQUES
  申请人：LABORATOIRES UPSA

  公开号：WO1994026736A1

  公开（公告）日：1994-11-24

  (EN) Derivatives of formula (I), their addition salts and their therapeutic use, namely as drugs with antalgic properties.(FR) La présente invention concerne les dérivés de formule (I) ainsi que leurs sels d'addition et leur utilisation en thérapeutique notamment comme médicaments à propriétés antalgiques.
• Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics
  作者：Dominique Potin、Véronique Parnet、Jean-Marie Teulon、Françoise Camborde、François Caussade、Joëlle Meignen、Daniel Provost、Alix Cloarec

  DOI：10.1016/s0960-894x(00)00102-5

  日期：2000.4

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.