2-(1,4-benzodioxan-6-yl)propan-2-ol | 163557-41-3

• 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-(1,4-benzodioxan-6-yl)propan-2-ol
• 英文别名: 2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)propan-2-ol；2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
• CAS: 163557-41-3
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: MVFXQRZQHILNIV-UHFFFAOYSA-N

物化性质

• 沸点：
  305.3±41.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1,4-benzodioxan-6-yl)propan-2-ol 在 sodium hydroxide 、 硫酸 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 2.0h， 生成 1,1-dichloro-2-methyl-2-(1,4-benzodioxan-6-yl)cyclopropane
  参考文献：
  名称：

  6-环丙基-和6-（1-甲基环丙基）1,4-苯并二恶烷：合成和硝化。使用浓硫酸重排硝基取代的6-环丙基-1，4-苯并二恶烷

  摘要：

  DOI：

  10.1007/bf01169933
• 作为产物：
  描述：

  甲基碘化镁 、 6-乙酰基-1,4-苯并二氧杂环 以 四氢呋喃 为溶剂， 反应 20.0h， 以60%的产率得到2-(1,4-benzodioxan-6-yl)propan-2-ol
  参考文献：
  名称：

  6-环丙基-和6-（1-甲基环丙基）1,4-苯并二恶烷：合成和硝化。使用浓硫酸重排硝基取代的6-环丙基-1，4-苯并二恶烷

  摘要：

  DOI：

  10.1007/bf01169933

文献信息

• Studies on Dibenzylamines as Inhibitors of Venezuelan Equine Encephalitis Virus
  作者：Theresa H. Nguyen、Nicole N. Haese、Nikhil Madadi、Sanjay Sarkar、Kiley Bonin、Cassilyn E. Streblow、Sharon Taft-Benz、Nichole A. Tower、Lynn Rasmussen、Robert Bostwick、Corinne E. Augelli-Szafran、Mark J. Suto、Thomas E. Morrison、Victor DeFilippis、Mark T. Heise、Daniel N. Streblow、Ashish K. Pathak

  DOI：10.1021/acsinfecdis.9b00035

  日期：2019.12.13

  Alphaviruses are arthropod-transmitted members of the Togaviridae family that can cause severe disease in humans, including debilitating arthralgia and severe neurological complications. Currently, there are no approved vaccines or antiviral therapies directed against the alphaviruses, and care is limited to treating disease symptoms. A phenotypic cell-based high-throughput screen was performed to identify small molecules that inhibit the replication of Venezuelan Equine Encephalitis Virus (VEEV). The compound, 1-(2,3-dihydrobenzo [b] [1,4] dioxin-6-yl)-N-(3-fluoro-4-methoxybenzyl)ethan-1-amine (1), was identified as a highly active, potent inhibitor of VEEV with an effective concentration for 90% inhibition of virus (EC90) of 0.89 mu M and 7.49 log reduction in virus titers at 10 mu M concentration. These data suggest that further investigation of compound 1 as an antiviral therapeutic against VEEV, and perhaps other alphaviruses, is warranted. Experiments suggested that the antiviral activity of compound 1 is directed at an early step in the VEEV replication cycle by blocking viral RNA and protein synthesis.
• 6-Cyclopropyl- and 6-(1-methylcyclopropyl) 1,4-benzodioxanes: synthesis and nitration. Rearrangement of nitro substituted 6-cyclopropyl-1, 4-benzodioxanes using concentrated sulfuric acid
  作者：S. S. Mochalov、D. V. Kosynkin、I. D. Yudin、K. A. Zavodskikh、Yu. S. Shabarov、N. S. Zefirov

  DOI：10.1007/bf01169933

  日期：1994.4