toluene sulfonic acid 4isopropyl-3,4dihydro-2H-benzo[1,4]oxazin-2-yl-methyl ester | 282520-52-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: toluene sulfonic acid 4isopropyl-3,4dihydro-2H-benzo[1,4]oxazin-2-yl-methyl ester
• 英文别名: (4-Propan-2-yl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl 4-methylbenzenesulfonate
• CAS: 282520-52-9
• 化学式: C₁₉H₂₃NO₄S
• 分子量: 361.462
• InChiKey: KWABVMLIPBVWHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  toluene sulfonic acid 4isopropyl-3,4dihydro-2H-benzo[1,4]oxazin-2-yl-methyl ester 、 4-(1H-吲哚-3-基)丁胺 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 [4-(1H-Indol-3-yl)-butyl]-(4-isopropyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-ylmethyl)-amine
  参考文献：
  名称：

  Studies toward the discovery of the next generation of antidepressants. Part 5: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives with dual 5-HT1A receptor and serotonin transporter affinity

  摘要：

  The design, synthesis, and structure-activity relationship of two novel classes of benzoxazine derivatives with dual selective serotonin reuptake inhibitors and 5-HT1A receptor activities are described. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.054
• 作为产物：
  描述：

  3,4-二氢-2H-苯并[1,4]噁嗪-2-羧酸乙酯 在 吡啶 、 锂硼氢 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 toluene sulfonic acid 4isopropyl-3,4dihydro-2H-benzo[1,4]oxazin-2-yl-methyl ester
  参考文献：
  名称：

  Studies toward the discovery of the next generation of antidepressants. Part 5: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives with dual 5-HT1A receptor and serotonin transporter affinity

  摘要：

  The design, synthesis, and structure-activity relationship of two novel classes of benzoxazine derivatives with dual selective serotonin reuptake inhibitors and 5-HT1A receptor activities are described. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.054

文献信息

• 3,4-Dihydro-2H-benzo[1,4]oxazinyl-methyl)-[3-(1H-indol-3yl)-alkyl]- amines
  申请人：American Home Products Corp

  公开号：US06313114B1

  公开（公告）日：2001-11-06

  Compounds are provided which have the following formula: wherein: R is hydrogen, alkyl of 1 to 6 carbon atoms, phenyl, or substituted phenyl; X and Y are each, independently, hydrogen, halogen, cyano, or alkoxy of 1 to 6 carbon atoms; and m is 1 to 5; or a pharmaceutically acceptable salt thereof.

  提供具有以下化学式的化合物：其中：R为氢、1至6个碳原子的烷基、苯基或取代苯基；X和Y分别独立地为氢、卤素、氰基或1至6个碳原子的烷氧基；m为1至5；或其药用可接受盐。
• (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES
  申请人：Wyeth

  公开号：EP1140925B1

  公开（公告）日：2003-04-23
• US6313114B1
  申请人：——

  公开号：US6313114B1

  公开（公告）日：2001-11-06
• [EN] 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES<br/>[FR] 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES
  申请人：AMERICAN HOME PROD

  公开号：WO2000040580A1

  公开（公告）日：2000-07-13

  Compounds are provided which have formula (1) wherein: R is hydrogen, alkyl of 1 to 6 carbon atoms, phenyl, or substituted phenyl; X and Y are each, independently, hydrogen, halogen, cyano, or alkoxy of 1 to 6 carbon atoms; and m is 1 to 5; or a pharmaceutically acceptable salt thereof useful in the treatment of neurological diseases caused by disorders of the serotonin-affected neurological systems.