2-trifluoromethyl-1,1-diphenyl-1-nonen-3-yne | 1342801-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-trifluoromethyl-1,1-diphenyl-1-nonen-3-yne
• 英文别名: [1-Phenyl-2-(trifluoromethyl)non-1-en-3-ynyl]benzene
• CAS: 1342801-63-1
• 化学式: C₂₂H₂₁F₃
• 分子量: 342.404
• InChiKey: GVFDBESSKBSBPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-trifluoromethyl-1,1-diphenyl-1-nonen-3-yne 在 palladium diacetate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 C₂₂H₂₁F₃ 、 C₂₂H₂₁F₃
  参考文献：
  名称：

  Synthesis of novel 2-trifluoromethyl-1-methylene-3-phenylindene derivatives via carbocyclization reaction of 2-trifluoromethyl-1,1-diphenyl-1,3-enynes

  摘要：

  Trifluoromethylated enynyl sulfones 3 were reacted with PhLi at -78 degrees C for 2-4 h to give 2-trifluoromethyl-1,1-diphenyl-1,3-enynes 6 in good yields. Carbocyclization reaction of 6 with 10 mol% of Pd(OAc)(2) in cosolvent of CF3COOH and MC (4:1) at room temperature for 1 h afforded 2-trifluoromethyl-1-methylene-3-phenylindene derivatives 7 in good yields. (C) 2011 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2011.06.031
• 作为产物：
  描述：

  2-trifluoromethyl-1-phenyl-1-phenylsulfonyl-1-nonen-3-yne 、 苯基锂 以 四氢呋喃 、 二丁醚 为溶剂， 以71%的产率得到2-trifluoromethyl-1,1-diphenyl-1-nonen-3-yne
  参考文献：
  名称：

  Synthesis of novel 2-trifluoromethyl-1-methylene-3-phenylindene derivatives via carbocyclization reaction of 2-trifluoromethyl-1,1-diphenyl-1,3-enynes

  摘要：

  Trifluoromethylated enynyl sulfones 3 were reacted with PhLi at -78 degrees C for 2-4 h to give 2-trifluoromethyl-1,1-diphenyl-1,3-enynes 6 in good yields. Carbocyclization reaction of 6 with 10 mol% of Pd(OAc)(2) in cosolvent of CF3COOH and MC (4:1) at room temperature for 1 h afforded 2-trifluoromethyl-1-methylene-3-phenylindene derivatives 7 in good yields. (C) 2011 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2011.06.031

文献信息

• Synthesis of novel 2-trifluoromethyl-1-methylene-3-phenylindene derivatives via carbocyclization reaction of 2-trifluoromethyl-1,1-diphenyl-1,3-enynes
  作者：Ji Hye Hwang、Yeon Hui Jung、Youn Young Hong、Sung Lan Jeon、In Howa Jeong

  DOI：10.1016/j.jfluchem.2011.06.031

  日期：2011.12

  Trifluoromethylated enynyl sulfones 3 were reacted with PhLi at -78 degrees C for 2-4 h to give 2-trifluoromethyl-1,1-diphenyl-1,3-enynes 6 in good yields. Carbocyclization reaction of 6 with 10 mol% of Pd(OAc)(2) in cosolvent of CF3COOH and MC (4:1) at room temperature for 1 h afforded 2-trifluoromethyl-1-methylene-3-phenylindene derivatives 7 in good yields. (C) 2011 Published by Elsevier B.V.