6-methyl-3,4-bis(4-trifluoromethylphenyl)-4,5-dihydropentalene-1-carboxylic acid methyl ester | 1257225-60-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 6-methyl-3,4-bis(4-trifluoromethylphenyl)-4,5-dihydropentalene-1-carboxylic acid methyl ester
• 英文别名: Methyl 6-methyl-3,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydropentalene-1-carboxylate；methyl 6-methyl-3,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydropentalene-1-carboxylate
• CAS: 1257225-60-7
• 化学式: C₂₅H₁₈F₆O₂
• 分子量: 464.407
• InChiKey: KNYCGPUDNYUSTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-乙炔基-α,α,α-三氟甲苯 、 4-Acetoxy-4-methyl-pent-2-ynoic acid methyl ester 在 1,5-cis,cis-cyclooctadiene 、 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以41%的产率得到6-methyl-3,4-bis(4-trifluoromethylphenyl)-4,5-dihydropentalene-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Cationic Rhodium(I) Complex-Catalyzed Cotrimerization of Propargyl Esters and Arylacetylenes Leading to Substituted Dihydropentalenes

  摘要：

  It has been established that a cationic rhodium(I)/cod complex catalyzes the cotrimerization of propargyl esters and arylacetylenes, leading to substituted dihydropentalenes, in the presence of excess cod through elimination of carboxylic acids.

  DOI：

  10.1021/ol1025266

文献信息

• Cationic Rhodium(I) Complex-Catalyzed Cotrimerization of Propargyl Esters and Arylacetylenes Leading to Substituted Dihydropentalenes
  作者：Yu Shibata、Keiichi Noguchi、Ken Tanaka

  DOI：10.1021/ol1025266

  日期：2010.12.3

  It has been established that a cationic rhodium(I)/cod complex catalyzes the cotrimerization of propargyl esters and arylacetylenes, leading to substituted dihydropentalenes, in the presence of excess cod through elimination of carboxylic acids.