tert-butyl (R)-(1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate | 1266103-43-8

• 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
• 英文名称: tert-butyl (R)-(1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
• CAS: 1266103-43-8
• 化学式: C₂₀H₂₂Cl₂N₂O₂
• 分子量: 393.313
• InChiKey: UZRVHCKOTOFTJD-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-(1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate 在 盐酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 (R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
  参考文献：
  名称：

  Discovery of 1-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine, a dual serotonin and dopamine reuptake inhibitor

  摘要：

  The present work describes a series of novel tetrahydroquinoline amines that potently inhibit the in vitro reuptake of serotonin and dopamine (dual reuptake inhibitors). The compounds are structurally related to a series we disclosed previously, but are improved with respect to cytochrome P-450 enzyme (CYP) and potassium ion channel Kv11.1 (hERG) inhibition and synthetic accessibility. The detailed synthesis and in vitro activity and ADME profile of the compounds is described, which represent a previously undisclosed dual reuptake inhibitor chemotype. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.086
• 作为产物：
  描述：

  tert-butyl (1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate 生成 tert-butyl (R)-(1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate 、 tert-butyl (S)-(1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
  参考文献：
  名称：

  Discovery of 1-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine, a dual serotonin and dopamine reuptake inhibitor

  摘要：

  The present work describes a series of novel tetrahydroquinoline amines that potently inhibit the in vitro reuptake of serotonin and dopamine (dual reuptake inhibitors). The compounds are structurally related to a series we disclosed previously, but are improved with respect to cytochrome P-450 enzyme (CYP) and potassium ion channel Kv11.1 (hERG) inhibition and synthetic accessibility. The detailed synthesis and in vitro activity and ADME profile of the compounds is described, which represent a previously undisclosed dual reuptake inhibitor chemotype. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.086