2-chloro-2-methyl-1,4-benzodioxan | 91933-95-8

• 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-chloro-2-methyl-1,4-benzodioxan
• 英文别名: 2-chloro-2-methyl-2,3-dihydro-benzo[1,4]dioxin；2-Chlor-2-methyl-2,3-dihydro-benzo[1,4]dioxin；2-Chloro-2-methyl-2,3-dihydro-1,4-benzodioxine；3-chloro-3-methyl-2H-1,4-benzodioxine
• CAS: 91933-95-8
• 化学式: C₉H₉ClO₂
• 分子量: 184.622
• InChiKey: BCJHWDKIWARSFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-2-methyl-1,4-benzodioxan 在 水 作用下， 以90%的产率得到2-hydroxy-2-methyl-1,4-benzodioxan
  参考文献：
  名称：

  Tsivunin, V. S.; Zaripova, V. G.; Bikulova, V. Zh., Journal of general chemistry of the USSR, 1984, vol. 54, p. 863 - 864

  摘要：

  DOI：
• 作为产物：
  描述：

  2-hydroxy-2-methyl-1,4-benzodioxan 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以97.8%的产率得到2-chloro-2-methyl-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

• Landi Vittory et al., Gazzetta Chimica Italiana, 1956, vol. 86, p. 1355,1359
  作者：Landi Vittory et al.

  DOI：——

  日期：——
• TSIVUNIN, V. S.;ZARIPOVA, V. G.;BIKULOVA, V. ZH.;SHAJXUTDINOVA, F. I.;LOB+, ZH. OBSHCH. XIMII, 1984, 54, N 4, 968-969
  作者：TSIVUNIN, V. S.、ZARIPOVA, V. G.、BIKULOVA, V. ZH.、SHAJXUTDINOVA, F. I.、LOB+

  DOI：——

  日期：——
• 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：——
• .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.
• Tsivunin, V. S.; Zaripova, V. G.; Bikulova, V. Zh., Journal of general chemistry of the USSR, 1984, vol. 54, p. 863 - 864
  作者：Tsivunin, V. S.、Zaripova, V. G.、Bikulova, V. Zh.、Shaikhutdinova, F. I.、Lobanova, T. N.

  DOI：——

  日期：——