3,4-bis(biphenyl-4-yl)-6-methyl-4,5-dihydropentalene-1-carboxylic acid methyl ester | 1257225-64-1

• 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: 3,4-bis(biphenyl-4-yl)-6-methyl-4,5-dihydropentalene-1-carboxylic acid methyl ester
• 英文别名: Methyl 6-methyl-3,4-bis(4-phenylphenyl)-4,5-dihydropentalene-1-carboxylate；methyl 6-methyl-3,4-bis(4-phenylphenyl)-4,5-dihydropentalene-1-carboxylate
• CAS: 1257225-64-1
• 化学式: C₃₅H₂₈O₂
• 分子量: 480.606
• InChiKey: RQDWQBKTRAKGHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-乙炔联苯 、 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38%的产率得到3,4-bis(biphenyl-4-yl)-6-methyl-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.