3-(4-氯苯基)-1-(2,5-二甲基苯基)-1-丙酮 | 898788-00-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 3-(4-氯苯基)-1-(2,5-二甲基苯基)-1-丙酮
• 英文名称: 3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-propanone
• 英文别名: 3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone；3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)propan-1-one
• CAS: 898788-00-6
• 化学式: C₁₇H₁₇ClO
• 分子量: 272.774
• InChiKey: ZXAXOZLAGLKGLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  413.6±33.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为产物：
  描述：

  对二甲苯 、 3-(4-氯苯基)丙酸 在 dodecatungstosilic acid 作用下， 以50%的产率得到3-(4-氯苯基)-1-(2,5-二甲基苯基)-1-丙酮
  参考文献：
  名称：

  Synthesis of 1‐Indanones via Intramolecular Cyclodehydration of 3‐Arylpropionic Acids Catalyzed by Heteropoly Acid as Heterogeneous Catalyst

  摘要：

  Intramolecular cyclodehydration of 3-arylpropionic acids catalyzed by heteropoly acids was investigated for the first time. Several 3-arylpropionic acids were refluxed and dehydrated in chlorobenzene in the presence of 0.2 equivalent of heteropoly acids, and 1-indanones were obtained in good yield. At the same time, intermolecular Friedel-Crafts acylation were observed in this experiment.

  DOI：

  10.1080/00397910701392293

文献信息

• Synthesis of 1‐Indanones via Intramolecular Cyclodehydration of 3‐Arylpropionic Acids Catalyzed by Heteropoly Acid as Heterogeneous Catalyst
  作者：Kun Lan、Zi‐Xing Shan

  DOI：10.1080/00397910701392293

  日期：2007.7.1

  Intramolecular cyclodehydration of 3-arylpropionic acids catalyzed by heteropoly acids was investigated for the first time. Several 3-arylpropionic acids were refluxed and dehydrated in chlorobenzene in the presence of 0.2 equivalent of heteropoly acids, and 1-indanones were obtained in good yield. At the same time, intermolecular Friedel-Crafts acylation were observed in this experiment.