1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(2-phenylsulfanyl-ethyl)-piperazine | 349550-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(2-phenylsulfanyl-ethyl)-piperazine
• 英文别名: 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylsulfanylethyl)piperazine
• CAS: 349550-36-3
• 化学式: C₂₀H₂₄N₂O₂S
• 分子量: 356.489
• InChiKey: VZGFYHWVPALMAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴-1,1-二甲氧基乙烷 、 1-(2,3-Dihydro-benzo[1,4]dioxin)piperazine 、 potassium tert-butylate 、 苯硫酚 生成 1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(2-phenylsulfanyl-ethyl)-piperazine
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Novel heteroaryl derivatives, their preparation and use
  申请人：H. Lundbeck A/S

  公开号：US20030050306A1

  公开（公告）日：2003-03-13

  A heteroaryl derivative having the formula (I) 1 any of its enantiomers or any mixture thereof, wherein X is —O—, —S—, or CR 4 R 5 —; and Y is —CR 6 R 7 ; —CR 6 R 7 —CR 8 R 9 —, or —CR 6 —CR 7 ; or X and Y together form a group —CR 4 ═R 5 —, or —CR 4 ═CR 5 —CR 6 R 7 —; Z is —O—, or —S—; W is N, C, or CH; n is 2, 3, 4, 5, 6, 7, 8, 9 or 10; m is 2 or 3; A is O or S wherein the doted lines mean an optional bond. The compounds of the invention are considered useful for the treatment of affective disorders such as general anxiety disorder, panic disorder, obsessive compulsive disorder, depression, social phobia and eating disorders, and neurological disorders such as psychosis.

  具有以下结构式(I)的杂环芳基衍生物，其中X为—O—、—S—或CR4R5—；Y为—CR6R7、—CR6R7—CR8R9—或—CR6—CR7；或者X和Y一起形成一个基团—CR4═R5—或—CR4═CR5—CR6R7—；Z为—O—或—S—；W为N、C或CH；n为2、3、4、5、6、7、8、9或10；m为2或3；A为O或S，其中点线表示可选键。该发明的化合物被认为对治疗情感障碍，如广泛性焦虑障碍、恐慌障碍、强迫症、抑郁症、社交恐惧症和进食障碍，以及神经症如精神病等是有用的。
• NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE
  申请人：H. LUNDBECK A/S

  公开号：EP1246820A1

  公开（公告）日：2002-10-09
• [EN] NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE<br/>[FR] NOUVEAUX DERIVES D'HETEROARYLE, PREPARATION ET UTILISATION DESDITS DERIVES
  申请人：LUNDBECK & CO AS H

  公开号：WO2001049683A1

  公开（公告）日：2001-07-12

  A heteroaryl derivative having the formula (I) any of its enantiomers or any mixture thereof, or an acid addition salt thereof , wherein X is -O-, -S-, or -CR4R5-; and Y is -CR?6R7-, -CR6R7-CR8R9¿-, or -CR6=CR7-; or X and Y together form a group -CR4=CR5-, or -CR?4=CR5-CR6R7¿-; Z is -O-, or -S-; W is N, C, or CH; n is 2, 3, 4, 5, 6, 7, 8, 9 or 10; m is 2 or 3: A is O or S wherein the dotted lines mean an optional bond. The compounds of the invention are considered useful for the treatment of affective disorders such as general anxiety disorder, panic disorder, obsessive compulsive disorder, depression, social phobia and eating disorders, and neurological disorders such as psychosis.