2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone | 347979-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
• CAS: 347979-10-6
• 化学式: C₁₇H₁₄F₃NO₂
• 分子量: 321.299
• InChiKey: YNQRSOYCZZBBMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  500.2±50.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以100%的产率得到1-phenyl-6-hydroxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Catalytic Pictet–Spengler reactions using Yb(OTf)3

  摘要：

  The catalytic Pictet-Spengler reactions proceeded in high yields with high regioselectivity in the presence of a catalytic amount of Yb(OTf)(3) and a dehydrating agent at room temperature. High regioselectivities were obtained in these reactions, and it is suggested that the reactions proceeded under kinetic control. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.018
• 作为产物：
  描述：

  6-methoxy-1-phenyl-3,4-dihydroisoquinoline 在 sodium tetrahydroborate 、 三溴化硼 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
  参考文献：
  名称：

  Tetrahydroisoquinolines as subtype selective estrogen agonists/antagonists

  摘要：

  Two series of 6-hydroxy and 7-hydroxy tetrahydroisoquinolines were prepared. Evaluating a range of C-1, C-4, and N-substituents led to the discovery of ER alpha and ER beta selective analogs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.077

文献信息

• Tetrahydroisoquinoline compounds as estrogen agonists/antagonists
  申请人：——

  公开号：US20010039285A1

  公开（公告）日：2001-11-08

  This invention relates to compounds useful for treating or preventing obesity, breast cancer, osteoporosis, endometriosis, cardiovascular disease, prostatic disease, and the like, and to pharmaceutical composition, methods, and kits comprising such compounds.

  这项发明涉及用于治疗或预防肥胖、乳腺癌、骨质疏松症、子宫内膜异位症、心血管疾病、前列腺疾病等的化合物，以及包含这些化合物的制药组合物、方法和工具包。
• US6608203B2
  申请人：——

  公开号：US6608203B2

  公开（公告）日：2003-08-19
• Tetrahydroisoquinolines as subtype selective estrogen agonists/antagonists
  作者：Richard Chesworth、Michael P. Zawistoski、Bruce A. Lefker、Kimberly O. Cameron、Robert F. Day、F.Michael Mangano、Robert L. Rosati、Stacy Colella、Donna N. Petersen、Amy Brault、Bihong Lu、Lydia C. Pan、Pia Perry、Oicheng Ng、Tessa A. Castleberry、Thomas A. Owen、Thomas A. Brown、David D. Thompson、Paul DaSilva-Jardine

  DOI：10.1016/j.bmcl.2004.03.077

  日期：2004.6

  Two series of 6-hydroxy and 7-hydroxy tetrahydroisoquinolines were prepared. Evaluating a range of C-1, C-4, and N-substituents led to the discovery of ER alpha and ER beta selective analogs. (C) 2004 Elsevier Ltd. All rights reserved.
• Catalytic Pictet–Spengler reactions using Yb(OTf)3
  作者：Kei Manabe、Daisuke Nobutou、Shū Kobayashi

  DOI：10.1016/j.bmc.2005.05.018

  日期：2005.9

  The catalytic Pictet-Spengler reactions proceeded in high yields with high regioselectivity in the presence of a catalytic amount of Yb(OTf)(3) and a dehydrating agent at room temperature. High regioselectivities were obtained in these reactions, and it is suggested that the reactions proceeded under kinetic control. (c) 2005 Elsevier Ltd. All rights reserved.