3-(6-苄氧基-喹啉-5-基)-丙烷-1,2-二醇 | 793670-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 3-(6-苄氧基-喹啉-5-基)-丙烷-1,2-二醇
• 英文名称: 3-(6-benzyloxy-quinolin-5-yl)-propane-1,2-diol
• 英文别名: 3-(6-Phenylmethoxyquinolin-5-yl)propane-1,2-diol
• CAS: 793670-90-3
• 化学式: C₁₉H₁₉NO₃
• 分子量: 309.365
• InChiKey: IFZVQEACOSZRGX-UHFFFAOYSA-N

物化性质

• 沸点：
  546.4±45.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  62.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(6-苄氧基-喹啉-5-基)-丙烷-1,2-二醇 在 吡啶 、 sodium azide 、 水 、 氢溴酸 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
  参考文献：
  名称：

  Novel pyridyl-fused 3-amino chroman derivatives with dual action at serotonin transporter and 5-HT1A receptor

  摘要：

  Structural modifications of the initial lead, 3-aminochroman (4), led to the identification of a novel series of pyridyl-fused amino chroman derivatives (5-8) and the structural isomers (9-12). The compounds described were evaluated for dual 5-HT transporter inhibitory and 5-HT1A receptor activities. The design strategy, synthesis, and in vitro biological characterization for these novel compounds are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.049
• 作为产物：
  描述：

  6-allyloxyquinoline 在 AD-mix-α 、 sodium hydride 作用下， 以 对二甲苯 、 水 、 叔丁醇 为溶剂， 生成 3-(6-苄氧基-喹啉-5-基)-丙烷-1,2-二醇
  参考文献：
  名称：

  Novel pyridyl-fused 3-amino chroman derivatives with dual action at serotonin transporter and 5-HT1A receptor

  摘要：

  Structural modifications of the initial lead, 3-aminochroman (4), led to the identification of a novel series of pyridyl-fused amino chroman derivatives (5-8) and the structural isomers (9-12). The compounds described were evaluated for dual 5-HT transporter inhibitory and 5-HT1A receptor activities. The design strategy, synthesis, and in vitro biological characterization for these novel compounds are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.049

文献信息

• [EN] QUINOLINE 3-AMINO CHROMAN DERIVATIVES<br/>[FR] AMINO-PYRANOQUINOLEINES EN TANT QU'INHIBITEURS DE RECAPTAGE DE LA SEROTONINE ET AGONISTES DE RECEPTEURS 5-HT1A
  申请人：WYETH CORP

  公开号：WO2004099214A1

  公开（公告）日：2004-11-18

  Quinoline 3 -amino chroman derivatives and compositions containing such compounds are disclosed. Methods for using the quinoline 3-amino chroman derivatives and compositions containing such compounds in the treatment of serotonin disorders are disclosed. Also disclosed are processes for preparing quinoline 3-amino chroman derivatives.

  揭示了喹啉3-氨基色苷衍生物和含有这种化合物的组合物。还揭示了使用喹啉3-氨基色苷衍生物和含有这种化合物的组合物来治疗血清素紊乱的方法。还揭示了制备喹啉3-氨基色苷衍生物的方法。
• Quinoline 3-amino chroman derivatives
  申请人：Hatzenbuhler Theriault Nicole

  公开号：US20050004157A1

  公开（公告）日：2005-01-06

  Quinoline 3-amino chroman derivatives and compositions containing such compounds are disclosed. Methods for using the quinoline 3-amino chroman derivatives and compositions containing such compounds in the treatment of serotonin disorders are disclosed. Also disclosed are processes for preparing quinoline 3-amino chroman derivatives.

  本发明公开了喹啉3-氨基色基衍生物和含有这种化合物的组合物。公开了使用喹啉3-氨基色基衍生物和含有这种化合物的组合物治疗血清素失调的方法。还公开了制备喹啉3-氨基色基衍生物的方法。
• QUINOLINE 3-AMINO CHROMAN DERIVATIVES
  申请人：Hatzenbuhler Theriault Nicole

  公开号：US20070191417A1

  公开（公告）日：2007-08-16

  Quinoline 3-amino chroman derivatives and compositions containing such compounds are disclosed. Methods for using the quinoline 3-amino chroman derivatives and compositions containing such compounds in the treatment of serotonin disorders are disclosed. Also disclosed are processes for preparing quinoline 3-amino chroman derivatives.

  本文揭示了喹啉3-氨基色基衍生物和含有这种化合物的组合物。还揭示了利用喹啉3-氨基色基衍生物和含有这种化合物的组合物治疗血清素失调的方法。同时，还揭示了制备喹啉3-氨基色基衍生物的过程。
• US7227023B2
  申请人：——

  公开号：US7227023B2

  公开（公告）日：2007-06-05
• Novel pyridyl-fused 3-amino chroman derivatives with dual action at serotonin transporter and 5-HT1A receptor
  作者：Dahui Zhou、Nicole T. Hatzenbuhler、Jonathan L. Gross、Boyd L. Harrison、Deborah A. Evrard、Michael Chlenov、Jeannette Golembieski、Geoffrey Hornby、Lee E. Schechter、Deborah L. Smith、Terrance H. Andree、Gary P. Stack

  DOI：10.1016/j.bmcl.2007.03.049

  日期：2007.6

  Structural modifications of the initial lead, 3-aminochroman (4), led to the identification of a novel series of pyridyl-fused amino chroman derivatives (5-8) and the structural isomers (9-12). The compounds described were evaluated for dual 5-HT transporter inhibitory and 5-HT1A receptor activities. The design strategy, synthesis, and in vitro biological characterization for these novel compounds are described. (C) 2007 Elsevier Ltd. All rights reserved.