2,6-bis(4-flurobenzylidene)-4-(tert-butyl)cyclohexanone

• 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: 2,6-bis(4-flurobenzylidene)-4-(tert-butyl)cyclohexanone
• 英文别名: (2E,6E)-4-tert-butyl-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
• 化学式: C₂₄H₂₄F₂O
• 分子量: 366.451
• InChiKey: CJGGGGOOEDITDS-KLCVKJMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 2,6-bis(4-flurobenzylidene)-4-(tert-butyl)cyclohexanone 在 nano titania supported sulfonic acid 作用下， 以 neat (no solvent) 为溶剂， 反应 1.75h， 以91%的产率得到(E)-7-(tert-butyl)-5-(4-flurobenzylidene)-9-(4-fluorophenyl)-3,3-dimethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-1-one
  参考文献：
  名称：

  10.101.6/j.arabjc.2011.06.001

  摘要：

  DOI：

  10.101.6/j.arabjc.2011.06.001
• 作为产物：
  描述：

  对氟苯甲醛 、 4-叔丁基环己酮 在 nano titania supported sulfonic acid 作用下， 以 neat (no solvent) 为溶剂， 反应 0.33h， 以97%的产率得到2,6-bis(4-flurobenzylidene)-4-(tert-butyl)cyclohexanone
  参考文献：
  名称：

  10.101.6/j.arabjc.2011.06.001

  摘要：

  DOI：

  10.101.6/j.arabjc.2011.06.001

文献信息

• Cytotoxic analogues of 2,6-bis(arylidene)cyclohexanones
  作者：Jonathan R Dimmock、Maniyan P Padmanilayam、Gordon A Zello、Kurt H Nienaber、Theresa M Allen、Cheryl L Santos、Erik De Clercq、Jan Balzarini、Elias K Manavathu、James P Stables

  DOI：10.1016/s0223-5234(02)01444-7

  日期：2003.2

  A series of 2,6-bis(arylidene)cycloalkanones (1) and related compounds containing one or two substituents at the four position of the cyclohexyl ring were prepared and shown to display cytotoxic activity towards murine P388 and L1210 cells as ell as human Molt 4/C8 and CEM T-lymphoctes. In some of the series of compounds. positive e correlations were noted between the potencies of the enones and the magnitude of the Hammett c values of the aryl substituents. Four representatives compounds were cytotoxic to a number of human tumours in vitro. particularly towards colon cancer and leukemic cells. A noteworthy feature of the compounds prepared in this study is that. in general, they were well tolerated when administered to rodents. A number of lead molecules emerged from this investigation as well as guidelines for future expansion of these series of compounds. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.
• 10.101.6/j.arabjc.2011.06.001
  作者：Amoozadeh, Ali、Tabrizian, Elham、Rahmani, Salman

  DOI：10.101.6/j.arabjc.2011.06.001

  日期：——