1-(3,4-二氯苯基)-4-甲基-1-戊烯-3-酮 | 125564-01-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 1-(3,4-二氯苯基)-4-甲基-1-戊烯-3-酮
• 英文名称: 1-(3,4-dichlorophenyl)-4-methyl-1-penten-3-one
• 英文别名: 1-(3,4-dichlorophenyl)-4-methylpent-1-en-3-one
• CAS: 125564-01-4
• 化学式: C₁₂H₁₂Cl₂O
• 分子量: 243.133
• InChiKey: QHYGIPBTAZKCSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3,4-二氯苯基)-4-甲基-1-戊烯-3-酮 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 、 丙酮 为溶剂， 反应 50.0h， 生成 6-(3,4-dichlorophenyl)-2,2-dimethylcycloheptan-1,4-dione
  参考文献：
  名称：

  Evaluation of some Mannich bases of conjugated styryl ketones and related compounds versus the WiDr colon cancer in vitro

  摘要：

  DOI：

  10.1016/0223-5234(89)90002-0

文献信息

• Synthesis and cytotoxic evaluation of some styryl ketones and related compounds
  作者：JR Dimmock、P Kumar、JW Quail、U Pugazhenthi、J Yang、M Chen、RS Reid、TM Allen、GY Kao、SPC Cole、G Batist、J Balzarini、E De Clercq

  DOI：10.1016/0223-5234(96)88227-4

  日期：1995.1

  A number of 1-aryl-4-methyl-1-penten-3-ones 1 were converted to the corresponding Mannich bases 2 and analogues 3. Attempts to form the azines 4 from several members in series 1 led to the isolation of the corresponding pyrazolines 5 or aryl aldehyde azines 6. Replacement of the isopropyl group of a compound in series 1 by methyl and ethyl functions led to ketones that reacted with hydrazine producing the corresponding azines. The Mannich bases displayed greater activity than the precursor ketones towards murine P388 and L1210 leukemia cells as well as to a panel of human tumour cell lines. Certain of the Mannich bases had selective toxicity towards some human tumour cell lines and others to L1210 cells (in contrast to human T lymphocytes). Several drug-resistant cell lines were shown to be free from cross resistance to a number of the Mannich bases.
• Dimmock; Kumar; Manavathu, Pharmazie, 1994, vol. 49, # 12, p. 909 - 912
  作者：Dimmock、Kumar、Manavathu、Obedeanu、Grewal

  DOI：——

  日期：——
• 2-[2-(3,4-Dichlorophenyl)vinyl]benzo[d]thiazole
  作者：J. Yang、P. Kumar、J. R. Dimmock、J. W. Quail

  DOI：10.1107/s0108270195008626

  日期：1995.12.15

  The title compound, C15H9Cl2NS, was synthesized by the condensation of 1-(3,4-dichlorophenyl)-4-methyl-1-penten-3-one and 2-aminothiophenol. The title compound is essentially planar in the solid state. The C=C double bond has the E configuration.
• Evaluation of some Mannich bases of conjugated styryl ketones and related compounds versus the WiDr colon cancer in vitro
  作者：Jonathan R Dimmock、Oludotun A Phillips、Sheri L Wonko、Robert A Hickie、Robert G Tuer、Stephen J Ambrose、R.Stephen Reid、Bulent Mutus、Christopher J Talpas

  DOI：10.1016/0223-5234(89)90002-0

  日期：1989.5