2-cyano-2-isopropenyl-1,4-benzodioxan | 84141-86-6

• 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: 2-cyano-2-isopropenyl-1,4-benzodioxan
• 英文别名: 3-prop-1-en-2-yl-2H-1,4-benzodioxine-3-carbonitrile
• CAS: 84141-86-6
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: NUTOOFHNNGPCHO-UHFFFAOYSA-N

物化性质

• 沸点：
  329.7±42.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-cyano-2-isopropenyl-1,4-benzodioxan 在 吡啶 、 sodium tetrahydroborate 、 potassium permanganate 、 potassium carbonate 、 二正丙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 55.5h， 生成 2-cyano-2-vinyl-1,4-benzodioxan
  参考文献：
  名称：

  .alpha.-Adrenoreceptor reagents. 3. Synthesis of some 2-substituted 1,4-benzodioxans as selective presynaptic .alpha.2-adrenoreceptor antagonists

  摘要：

  The synthesis and pharmacological activity of a series of 2-substituted derivatives of the selective alpha 2-adrenoreceptor antagonist idazoxan (RX 781094) is described. Substitution in this position by alkyl, alkenyl, cycloalkenyl, and alkoxy groups in many cases gives compounds whose potencies and selectivities are significantly greater than those of the parent compound.

  DOI：

  10.1021/jm00146a013
• 作为产物：
  描述：

  2,3-二氢苯并[1,4]二恶烷-2-甲腈 在 吡啶 、 potassium carbonate 、 三氯氧磷 作用下， 反应 138.0h， 生成 2-cyano-2-isopropenyl-1,4-benzodioxan
  参考文献：
  名称：

  .alpha.-Adrenoreceptor reagents. 3. Synthesis of some 2-substituted 1,4-benzodioxans as selective presynaptic .alpha.2-adrenoreceptor antagonists

  摘要：

  The synthesis and pharmacological activity of a series of 2-substituted derivatives of the selective alpha 2-adrenoreceptor antagonist idazoxan (RX 781094) is described. Substitution in this position by alkyl, alkenyl, cycloalkenyl, and alkoxy groups in many cases gives compounds whose potencies and selectivities are significantly greater than those of the parent compound.

  DOI：

  10.1021/jm00146a013

文献信息

• Imidazoline derivatives, process for the preparation thereof, pharmaceutical compositions containing them and their use
  申请人：RECKITT AND COLMAN PRODUCTS LIMITED

  公开号：EP0058006B1

  公开（公告）日：1985-04-10
• STILLINGS, M. R.;CHANLEO, CH. B.;BUTLER, R. C. M.;DAVIS, J. A.;ENGLAND, C+, J. MED. CHEM., 1985, 28, N 8, 1054-1062
  作者：STILLINGS, M. R.、CHANLEO, CH. B.、BUTLER, R. C. M.、DAVIS, J. A.、ENGLAND, C+

  DOI：——

  日期：——
• US4397860A
  申请人：——

  公开号：US4397860A

  公开（公告）日：1983-08-09
• .alpha.-Adrenoreceptor reagents. 3. Synthesis of some 2-substituted 1,4-benzodioxans as selective presynaptic .alpha.2-adrenoreceptor antagonists
  作者：Michael R. Stillings、Christopher B. Chapleo、Richard C. M. Butler、J. Alfred Davis、C. David England、Malcolm Myers、Peter L. Myers、Neil Tweddle、Anthony P. Welbourn

  DOI：10.1021/jm00146a013

  日期：1985.8

  The synthesis and pharmacological activity of a series of 2-substituted derivatives of the selective alpha 2-adrenoreceptor antagonist idazoxan (RX 781094) is described. Substitution in this position by alkyl, alkenyl, cycloalkenyl, and alkoxy groups in many cases gives compounds whose potencies and selectivities are significantly greater than those of the parent compound.