1-benzoyl-6-phenyl-6-hydroxypentafulvene | 136272-02-1

• 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: 1-benzoyl-6-phenyl-6-hydroxypentafulvene
• 英文别名: {(5Z)-5-[hydroxy(phenyl)-methylene]cyclopenta-1,3-dien-1-yl}(phenyl)methanone；[5-((Z)-α-hydroxy-benzylidene)-cyclopenta-1,3-dienyl]-phenyl ketone；[5-((Z)-α-Hydroxy-benzyliden)-cyclopenta-1,3-dienyl]-phenyl-keton；Methanone, [5-(hydroxyphenylmethylene)-1,3-cyclopentadien-1-yl]phenyl-；[(5Z)-5-[hydroxy(phenyl)methylidene]cyclopenta-1,3-dien-1-yl]-phenylmethanone
• CAS: 136272-02-1
• 化学式: C₁₉H₁₄O₂
• 分子量: 274.319
• InChiKey: ICMWSLSWODQDTH-VLGSPTGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  1-benzoyl-6-phenyl-6-hydroxypentafulvene 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以22.5%的产率得到1,3-diphenyl-4H-cyclopenta[c]thiophene
  参考文献：
  名称：

  Synthesis, Characterization, and Structure of Cyclopenta[c]thiophenes and Their Manganese Complexes

  摘要：

  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 [Mn{eta5-1,2-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.

  DOI：

  10.1021/ja054513n
• 作为产物：
  描述：

  苯甲酰氯 以77%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

• Catalyst components based on fulvene complexes
  申请人：TOTAL PETROCHEMICALS RESEARCH FELUY

  公开号：EP2019111A1

  公开（公告）日：2009-01-28

  The present invention discloses metallic complexes based on hydroxylcarbonyl fulvene ligands, their method of preparation and their use in the oligomerisation or polymerisation of ethylene and alpha-olefins.

  本发明揭示了基于羟基羰基富勒烯配体的金属络合物，其制备方法以及它们在乙烯和α-烯烃的寡聚或聚合中的应用。
• Catalysts
  申请人：Borealis Technology Oy

  公开号：EP1997834A1

  公开（公告）日：2008-12-03

  An olefin polymerisation catalyst comprising: (I) a complex comprising a ligand of formula (I) coordinated (as shown) to a metal ion M; and (II) a cocatalyst; or the reaction product thereof; wherein each X which may be the same or different is NR3 or O; each Y which may be the same or different is C, S, P, S=O; each R1 which may be the same or different is hydrogen, an optionally substituted C1-20 hydrocarbyl group, -CN, N(R4)2, silyl, siloxy, -CF3, -SH, -C(=NR4)NR4R4, -NR4C(=O)R4, -NR4C(=NR4)R4, -NR4C(=NR4)NR4R4, -NR4C(=O)OR4, -NR4C(=O)NR4R4, -NR4S(O)2R4, -S(O)2NR4R4, -C(=S)NR4R4, -OC(=O)R4, -OC(=O)NR4R4, -OR4, optionally substituted heterocyclyl, or optionally substituted heteroaryl; each R2 which may be the same or different is an optionally substituted C1-20 hydrocarbyl group, halo, silyl, siloxy, nitro, -CN, N(R4)2, -CF3, -SH, C(=O)R4, OC(=O)R4, C(=O)OR4, -OC(=O)NR4R4, -OR4, optionally substituted heterocyclyl, or optionally substituted heteroaryl or two R2 groups attached to adjacent ring atoms together form an optionally substituted 5- to 8-membered fused ring; each R3 which may be the same or different is hydrogen, or an optionally substituted C1-20 hydrocarbyl group; each R4 which may be the same or different is a hydrogen, an optionally substituted C1-20 hydrocarbyl group, or two R4 groups taken together form an optionally substituted 5- to 8-membered fused ring; a is 0 to 3; b is 1 unless the atom Y to which R1 is attached is P wherein b is 2.

  一种烯烃聚合催化剂，包括： （I）一个配体公式（I）与金属离子M配位形成的配合物（如图所示）;以及 （II）一个协同催化剂；或其反应产物； 其中，每个X可以相同或不同，是NR3或O； 每个Y可以相同或不同，是C，S，P，S = O； 每个R1可以相同或不同，是氢，一个可选取代的C1-20烃基，-CN，N（R4）2，硅基，硅氧基，-CF3，-SH，-C（= NR4）NR4R4，-NR4C（= O）R4，-NR4C（= NR4）R4，-NR4C（= NR4）NR4R4，-NR4C（= O）OR4，-NR4C（= O）NR4R4，-NR4S（O）2R4，-S（O）2NR4R4，-C（= S）NR4R4，-OC（= O）R4，-OC（= O）NR4R4，-OR4，可选取代的杂环烷基或可选取代的杂环芳基； 每个R2可以相同或不同，是一个可选取代的C1-20烃基，卤素，硅基，硅氧基，硝基，-CN，N（R4）2，-CF3，-SH，C（= O）R4，OC（= O）R4，C（= O）OR4，-OC（= O）NR4R4，-OR4，可选取代的杂环烷基或可选取代的杂环芳基，或者相邻环原子上的两个R2基团共同形成一个可选取代的5-8元融合环； 每个R3可以相同或不同，是氢或一个可选取代的C1-20烃基； 每个R4可以相同或不同，是氢，一个可选取代的C1-20烃基，或两个R4基团共同形成一个可选取代的5-8元融合环； a为0到3； 当R1连接的原子为P时，b为2；否则b为1。
• Studies in nuclear magnetic resonance spectroscopy. 17. Deuteron quadrupole coupling constants in intramolecularly hydrogen bonded systems
  作者：L. M. Jackman、J. C. Trewella、R. C. Haddon

  DOI：10.1021/ja00528a001

  日期：1980.4
• 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

表征谱图