(2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methanol | 206879-78-9

• 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: (2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methanol
• CAS: 206879-78-9
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: KLHLCSQIMCROGD-UHFFFAOYSA-N

物化性质

• 沸点：
  359.3±42.0 °C(predicted)
• 密度：
  1.070±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  (2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methanol 在 四溴化碳 、 sodium hydride 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 16.83h， 生成 [5-tert-butyl-3-[(2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)phenyl]methanol
  参考文献：
  名称：

  Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State

  摘要：

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.

  DOI：

  10.1021/jo971945a
• 作为产物：
  描述：

  2-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol 、 2,2-二甲氧基丙烷 在 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以99%的产率得到(2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methanol
  参考文献：
  名称：

  Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State

  摘要：

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.

  DOI：

  10.1021/jo971945a

文献信息

• The '2+1' Construction of Homooxacalix[3]arenes Possessing Different Substituents on Their Upper Rims.
  作者：Kazunori TSUBAKI、Koichiro MUKOYOSHI、Tadamune OTSUBO、Kaoru FUJI

  DOI：10.1248/cpb.48.882

  日期：——

  Several homoxacalix[3]arenes possessing different substituents on their upper rims were synthesized in yields of 7-20% by a condensation reaction between the p-substituted phenol dimer and monomer under acidic high-dilution conditions.

  在酸性高稀释条件下，通过对取代苯酚二聚体和单体之间的缩合反应，合成了几种上缘具有不同取代基的均二十碳六[3]烷，收率为 7-20%。
• Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State
  作者：Kazunori Tsubaki、Tadamune Otsubo、Kiyoshi Tanaka、Kaoru Fuji、Takayoshi Kinoshita

  DOI：10.1021/jo971945a

  日期：1998.5.1

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.