N,N-pentamethylene-2,3-dihydro-1,4-benzodioxin-2-carboxamide | 53420-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N,N-pentamethylene-2,3-dihydro-1,4-benzodioxin-2-carboxamide
• 英文别名: 1-(2,3-dihydro-benzo[1,4]dioxin-2-carbonyl)-piperidine；1-(2,3-Dihydro-benzo[1,4]dioxin-2-carbonyl)-piperidin；2,3-Dihydro-1,4-benzodioxin-2-yl(piperidin-1-yl)methanone；2,3-dihydro-1,4-benzodioxin-3-yl(piperidin-1-yl)methanone
• CAS: 53420-21-6
• 化学式: C₁₄H₁₇NO₃
• mdl: MFCD00642030
• 分子量: 247.294
• InChiKey: ITLYOOAPSZVURW-UHFFFAOYSA-N

物化性质

• 沸点：
  415.6±44.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)
• 溶解度：
  >37.1 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 1,4-苯并二氧六环-2-甲酸乙酯 以 甲苯 为溶剂， 反应 360.0h， 以80%的产率得到N,N-pentamethylene-2,3-dihydro-1,4-benzodioxin-2-carboxamide
  参考文献：
  名称：

  A new synthesis of 3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-carboxamides and 3-aminomethylene-1,4-benzodioxin-2(3H)-one derivatives

  摘要：

  The 1,4-benzodioxin-2-carboxylic esters or carboxamides react with nucleophilic amines to give access to 3-hydroxy-2,3-dihydro- 1,4-benzodioxin-2-carboxamides and 3-aminomethyn-1,4-benzodioxin-2(3H)-one precursors of potential therapeutical compounds. The basic environment (K2CO3 or amine) facilitates the process. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00025-5

文献信息

• 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES
  申请人：Din Belle David

  公开号：US20120035210A9

  公开（公告）日：2012-02-09

  Compounds of formula I wherein X, Z, R 1 -R 4 , and m are as defined in the claims, exhibit alpha2C antagonistic activity, and are thus useful as alpha2C antagonists. Methods for the treatment of diseases and conditions of the peripheric system and the central nervous system are also disclosed.

  式I的化合物，其中X、Z、R1-R4和m如权利要求所定义，表现出α2C拮抗活性，因此可用作α2C拮抗剂。还公开了治疗外周系统和中枢神经系统疾病和病症的方法。
• 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES
  申请人：ORION CORPORATION

  公开号：US20130281486A1

  公开（公告）日：2013-10-24

  Compounds of formula I wherein X, Z, R 1 -R 4 , and m are as defined in the claims, exhibit alpha2C antagonistic activity, and are thus useful as alpha2C antagonists. Methods for the treatment of diseases and conditions of the peripheric system and the central nervous system are also disclosed.

  式(I)的化合物，其中X、Z、R1-R4和m如权利要求中所定义，表现出α2C拮抗活性，因此可用作α2C拮抗剂。还公开了治疗外周系统和中枢神经系统疾病和病况的方法。
• 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES
  申请人：ORION CORPORATION

  公开号：US20140179926A1

  公开（公告）日：2014-06-26

  Compounds of formula I wherein X, Z, R 1 -R 4 , and m are as defined in the claims, exhibit alpha2C antagonistic activity, and are thus useful as alpha2C antagonists. Methods for the treatment of diseases and conditions of the peripheric system and the central nervous system are also disclosed.

  式I的化合物，其中X、Z、R1-R4和m的定义见权利要求，具有alpha2C拮抗活性，因此可用作alpha2C拮抗剂。本文还揭示了治疗外周系统和中枢神经系统疾病和病症的方法。
• Derivatives of 1,4-Benzodioxan. I. 1,4-Benzodioxan-2-carboxamides
  作者：John Koo、Souren Avakian、Gustav J. Martin

  DOI：10.1021/ja01625a050

  日期：1955.10
• US8492549B2
  申请人：——

  公开号：US8492549B2

  公开（公告）日：2013-07-23