{(5Z)-5-[hydroxy(4-methylphenyl)methylene]cyclopenta-1,3-dien-1-yl}(4-methylphenyl)methanone | 111030-70-7

• 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: {(5Z)-5-[hydroxy(4-methylphenyl)methylene]cyclopenta-1,3-dien-1-yl}(4-methylphenyl)methanone
• 英文别名: [5-((Z)-α-hydroxy-4-methyl-benzylidene)-cyclopenta-1,3-dienyl]-p-tolyl ketone；[5-((Z)-α-Hydroxy-4-methyl-benzyliden)-cyclopenta-1,3-dienyl]-p-tolyl-keton；[(5Z)-5-[hydroxy-(4-methylphenyl)methylidene]cyclopenta-1,3-dien-1-yl]-(4-methylphenyl)methanone
• CAS: 111030-70-7
• 化学式: C₂₁H₁₈O₂
• 分子量: 302.373
• InChiKey: YXYLEGHEOVYZQL-ZZEZOPTASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  {(5Z)-5-[hydroxy(4-methylphenyl)methylene]cyclopenta-1,3-dien-1-yl}(4-methylphenyl)methanone 在 盐酸 、 乙醇 、 羟胺 作用下， 生成 1,4-di-p-tolylcyclopenta[d][1,2]oxazine
  参考文献：
  名称：

  The Benzoylation of Cyclopentadienyllithium

  摘要：

  DOI：

  10.1021/ja01575a038
• 作为产物：
  描述：

  对甲基苯甲酰氯 以68%的产率得到
  参考文献：
  名称：

  Qian Chang-Tao, Qiu Ai-Neng, Zhu Dun-Ming, Youji huaxue (Org. Chem), 13 (1993) N 4, S 418-421

  摘要：

  DOI：

文献信息

• Synthesis, Characterization, and Structure of Cyclopenta[<i>c</i>]thiophenes and Their Manganese Complexes
  作者：Chad A. Snyder、John P. Selegue、Nathan C. Tice、Chad E. Wallace、Mark T. Blankenbuehler、Sean Parkin、Keith D. E. Allen、Ryan T. Beck

  DOI：10.1021/ja054513n

  日期：2005.11.1

  1,3-Diaryl-4H-cyclopenta[c]thiophenes are efficiently prepared from 1,2-diaroylcyclopentadienes by use of Lawesson's reagent. eta5-Cyclopenta[c]thienyl complexes, [Mn(eta5-SC7H3-1,3-R2)(CO)3] (R = Me, Ph), are prepared in high yield by ligand substitution reactions of [MnBr(CO)5] with [SnMe3(SC7H3-1,3-R2)]. Alternatively, thiation with P4S10/NaHCO3 converts [Mneta5-1,2-C5H3(COR)2)(CO)3] to [Mn(eta5-SC7H3-1,3-R2)(CO)3] (R = Ph, 4-tolyl, 4-MeOC6H4, benzo[2,3-b]thienyl). The molecular structures of complexes with R = Me, Ph show planar eta5-cyclopenta[c]thienyl ligands, with the manganese atom slightly displaced away from the ring-fusion bond.
• Synthesis of 4-(1,4-Diaryl-2H-cyclopent[d]pyridazin-2-yl)benzenesulfonamides
  作者：Mark Blankenbuehler、Sean Parkin

  DOI：10.3987/com-02-9591

  日期：——

  The condensation of cyclopentadienyl-derived gamma-diketones and arylhydrazines was utilized to synthesize 4-(1,4-diphenyl-2H-cyclopent[d]-pyridazin-2-yl)benzenesulfonamide and 4-(1,4-di-(4-methylphenyl)-2H-cyclopent[d]pyridazin-2-yl)benzenesulfonamide in better than 80% yield. The crystal structures of the precursor hydroxyfulvene, (5Z)-5-[hydroxy(4-methylphenyl)-methylene]cyclopenta-1,3-dien-1-yl}(4-methylphenyl)methanone, and the derived pyridazine 4-(1,4-diphenyl-2H-cyclopent[d]pyridazin-2-yl)benzenesulfonamide, were also obtained.
• The Benzoylation of Cyclopentadienyllithium
  作者：William J. Linn、William H. Sharkey

  DOI：10.1021/ja01575a038

  日期：1957.9
• Qian Chang-Tao, Qiu Ai-Neng, Zhu Dun-Ming, Youji huaxue (Org. Chem), 13 (1993) N 4, S 418-421
  作者：Qian Chang-Tao, Qiu Ai-Neng, Zhu Dun-Ming

  DOI：——

  日期：——