(4-氯苯基)(2,3-二氢-1,4-苯并二氧杂环己-6-基)甲酮 | 101018-98-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-氯苯基)(2,3-二氢-1,4-苯并二氧杂环己-6-基)甲酮
• 英文名称: 4-Chloro-3',4'-(ethylenedioxy)benzophenone
• 英文别名: (4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
• CAS: 101018-98-8
• 化学式: C₁₅H₁₁ClO₃
• mdl: MFCD01105757
• 分子量: 274.704
• InChiKey: WDQRRAGLRNSAHB-UHFFFAOYSA-N

物化性质

• 熔点：
  107-108 °C(Solv: ethanol (64-17-5))
• 沸点：
  429.2±45.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  (4-氯苯基)(2,3-二氢-1,4-苯并二氧杂环己-6-基)甲酮 在 sodium tetrahydroborate 作用下， 以87%的产率得到(4-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
  参考文献：
  名称：

  Hydrochloric acid as an efficient catalyst for intermolecular condensation of alcohols. A simple and highly efficient synthesis of unsymmetrical ethers from benzylic alcohols and alkanols

  摘要：

  Benzylic alcohols and diarylmethanols with electron-donating substituents in the aromatic ring reacted with aliphatic alcohols in the presence of a catalytic amount of HCl to give the corresponding alkyl arylmethyl ethers. The reactivity of diarylmethanols in the intermolecular dehydration depended on the nature of substituents in the aromatic rings and structure of aliphatic alcohol.

  DOI：

  10.1134/s107042801509002x
• 作为产物：
  描述：

  1,4-苯并二恶烷 、 4-氯苯甲酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以83%的产率得到(4-氯苯基)(2,3-二氢-1,4-苯并二氧杂环己-6-基)甲酮
  参考文献：
  名称：

  Synthesis and antiinflammatory activity of 6-acylsubstituted benzo-1,4-dioxanes and dihydrobenzopyrans

  摘要：

  DOI：

  10.1007/bf00766841

文献信息

• Synthesis of symmetrical α-alkyl- and α-arylalkylbenzyl and diarylmethyl ethers by HCl-catalyzed intermolecular dehydration
  作者：S. S. Mochalov、A. N. Fedotov、E. V. Trofimova、N. S. Zefirov

  DOI：10.1134/s1070428017100050

  日期：2017.10

  alpha-Alkyl-, alpha-arylalkyl-, and alpha-aryl-substituted benzyl alcohols were converted into the corresponding symmetrical dibenzyl ethers in the presence of a catalytic amount of 10% aqueous HCl both in methylene chloride and under solvent-free conditions. Analogous reactions in dioxane and on heating afforded mainly the corresponding arylalkenes, whereas symmetrical dibenzyl ethers were formed as minor products.
• DAUKSHAS, V. K.;GAJDYALIS, P. G.;UDRENAJTE, EH. B.;PYATRAUSKAS, O. YU.;BR+, XIM.-FARMATS. ZH., 1985, 19, N 9, 1069-1071
  作者：DAUKSHAS, V. K.、GAJDYALIS, P. G.、UDRENAJTE, EH. B.、PYATRAUSKAS, O. YU.、BR+

  DOI：——

  日期：——