1-(2 Chlor-4 Fluor苯基)丙烷-1-酮 | 898766-45-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2 Chlor-4 Fluor苯基)丙烷-1-酮
• 中文别名: 1-(2Chlor-4Fluor苯基)丙烷-1-酮
• 英文名称: 1-(2-Chloro-4-fluorophenyl)-2,2-dimethylpropan-1-one
• CAS: 898766-45-5
• 化学式: C₁₁H₁₂ClFO
• mdl: MFCD03841194
• 分子量: 214.667
• InChiKey: ASOVKFXRFZUTKX-UHFFFAOYSA-N

物化性质

• 沸点：
  248.5±20.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090

反应信息

• 作为产物：
  描述：

  2,2-二甲基-1-(4-氟苯基)-1-丙酮 在 dipotassium peroxodisulfate 、 N-氯代丁二酰亚胺 、 三氟甲磺酸 、 palladium diacetate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 25.0h， 以61%的产率得到1-(2 Chlor-4 Fluor苯基)丙烷-1-酮
  参考文献：
  名称：

  Palladium-catalyzed ortho-selective CH bond chlorination of aromatic ketones

  摘要：

  A palladium-catalyzed ortho-selective C-H bond chlorination reaction for the preparation of 2-chloro aromatic ketones was described. Both electron-withdrawing and electron-donating groups on the aromatic rings are well tolerated under the optimized conditions. The 2-chloro aromatic ketones obtained by our method could be applied to synthesize the derivatives of 1H-indazole or benzo[d]isoxazole. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.07.011

文献信息

• L-Phenylalanine Derivatives
  申请人：Barry Simon Thomas

  公开号：US20090137601A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，以及包含其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有显著血管生成或血管成分的疾病，如实体肿瘤的制剂中的用途。本发明还涉及抑制a5b1的化合物，以及对其他整合素具有适当选择性谱的化合物。
• Palladium-catalyzed ortho-selective CH bond chlorination of aromatic ketones
  作者：Gang Shan、Gui-Yi Huang、Yu Rao、Hui Zhang

  DOI：10.1016/j.cclet.2015.07.011

  日期：2015.10

  A palladium-catalyzed ortho-selective C-H bond chlorination reaction for the preparation of 2-chloro aromatic ketones was described. Both electron-withdrawing and electron-donating groups on the aromatic rings are well tolerated under the optimized conditions. The 2-chloro aromatic ketones obtained by our method could be applied to synthesize the derivatives of 1H-indazole or benzo[d]isoxazole. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.