1-(2-Chloro-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine | 149366-83-6

• 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-Chloro-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine
• 英文别名: Piperazine, 1-(2-chloroethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-；1-(2-chloroethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
• CAS: 149366-83-6
• 化学式: C₁₄H₁₉ClN₂O₂
• 分子量: 282.77
• InChiKey: LFXGEQYVZQMTGS-UHFFFAOYSA-N

物化性质

• 沸点：
  420.3±45.0 °C(Predicted)
• 密度：
  1.226±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  24.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  糖精 、 1-(2-Chloro-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one
  参考文献：
  名称：

  Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands structure-activity relationships

  摘要：

  The agonistic/antagonistic profile of a series of 10 N4-substituted1-(2,3-dihydro-1,4-benzodioxin- 5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agonism/antagonism (phthalimidobutyl derivative 7) to predominantly antagonism (saccharinbutyl derivate 9). A novel full antagonist 10, as potent as WAY 100635, is obtained by substitution of Cl at C-7 of the benzodioxinyl moiety in 9. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00406-5
• 作为产物：
  描述：

  1-溴-2-氯乙烷 、 1-(2,3-二氢-1,4-苯并二烷-5-基)哌嗪盐酸盐 以 二氯甲烷 为溶剂， 生成 1-(2-Chloro-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine
  参考文献：
  名称：

  Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands structure-activity relationships

  摘要：

  The agonistic/antagonistic profile of a series of 10 N4-substituted1-(2,3-dihydro-1,4-benzodioxin- 5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agonism/antagonism (phthalimidobutyl derivative 7) to predominantly antagonism (saccharinbutyl derivate 9). A novel full antagonist 10, as potent as WAY 100635, is obtained by substitution of Cl at C-7 of the benzodioxinyl moiety in 9. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00406-5

文献信息

• US5710149A
  申请人：——

  公开号：US5710149A

  公开（公告）日：1998-01-20