(Z)-1,2-diphenyl-1-hexen-3-one | 61798-66-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (Z)-1,2-diphenyl-1-hexen-3-one
• 英文别名: (E)-1,2-Diphenyl-1-hexen-3-on；1,2-Diphenyl-hex-1-en-3-on；(E)-1,2-diphenylhex-1-en-3-one
• CAS: 61798-66-1
• 化学式: C₁₈H₁₈O
• 分子量: 250.34
• InChiKey: KYBOBKNKMPHORH-SAPNQHFASA-N

物化性质

• 熔点：
  98 °C
• 沸点：
  393.8±21.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  cis-stilben-α-ylmercury (1+); chloride 、 丁酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 (Z)-1,2-diphenyl-1-hexen-3-one
  参考文献：
  名称：

  Mercury in organic chemistry. 13. Stereospecific synthesis of .alpha.,.beta.-unsaturated ketones via acylation of vinylmercurials

  摘要：

  DOI：

  10.1021/jo00398a042

文献信息

• Selective Intermolecular Coupling of Alkynes with Nitriles and Ketones via β,β‘ Carbon−Carbon Bond Cleavage of Zirconacyclopentenes
  作者：Tamotsu Takahashi、Chanjuan Xi、Zhenfeng Xi、Motohiro Kageyama、Reinald Fischer、Kiyohiko Nakajima、Ei-ichi Negishi

  DOI：10.1021/jo980022s

  日期：1998.10.1

  Selective intermolecular coupling of alkynes with nitriles and ketones was performed by the reaction of a mixture of alkynes and Cp(2)ZrEt(2) with nitriles and ketones, respectively. Hydrolysis of the mixture gave alpha,beta-unsaturated ketones and allylic alcohols in good to excellent yields, respectively. These reactions proceeded via zirconacyclopentenes which were prepared by the reaction of alkynes

  炔与腈和酮的选择性分子间偶联是通过炔和Cp（2）ZrEt（2）的混合物分别与腈和酮反应进行的。混合物的水解分别以良好或优异的产率得到α，β-不饱和酮和烯丙基醇。这些反应是通过锆炔环戊烯进行的，该催化剂是由炔烃与Cp（2）ZrEt（2）反应制备的。由二苯乙炔和Cp（2）ZrEt（2）制备的氧化锆环戊烯的结构通过X射线分析确定。清楚地表明，在氧化锆环戊烯的β-和β'-碳之间存在一个单键。氧化锆环戊烯与腈或酮的反应通过氧化锆环戊烯的β，β'碳-碳键裂解进行。以类似的方式
• A novel reaction of titanacyclopentenes and aldehydes with or without Lewis acids
  作者：Qiaoshu Hu、Dongzhen Li、Huijun Zhang、Zhenfeng Xi

  DOI：10.1016/j.tetlet.2007.06.149

  日期：2007.8

  Oxatitanacyclopentenes were prepared in high yields from the reaction of aldehydes with titanacyclopenetens via substitution of ethylene. No insertion product was obtained in this reaction. The combination of alkynes and aldehydes played an important role in the successive formation of oxatitanacyclopentenes. Some oxatitanacyclopentenes are very stable and can be purified using column chromatography. The cooperation between Ti and LA led to very different results from that between Zr and LA. (c) 2007 Elsevier Ltd. All rights reserved.