(Z)-1-(4-chlorophenyl)-3-fluoro-2-methylbut-2-en-1-one | 1454271-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-1-(4-chlorophenyl)-3-fluoro-2-methylbut-2-en-1-one
• CAS: 1454271-97-6
• 化学式: C₁₁H₁₀ClFO
• 分子量: 212.651
• InChiKey: XOSGPPWTBUGAIR-FPLPWBNLSA-N

物化性质

• 沸点：
  281.4±38.0 °C(predicted)
• 密度：
  1.174±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 水 为溶剂， 反应 2.0h， 以48%的产率得到(E)-1-(4-chlorophenyl)-3-fluoro-2-methylbut-2-en-1-one
  参考文献：
  名称：

  Synthesis of β-fluoroenones and their reductive rearrangement in aqueous media

  摘要：

  In this paper, a simple and efficient preparation of beta-fluoroenones, as a mixture of E/Z isomers with the E-isomer as the main product, from 1,2-allenic ketones by using TBAF center dot 3H(2)O in water as a nucleophilic fluorination agent has been developed. Moreover, in exploring the synthetic applications of b-fluoroenones, an unprecedented reductive defluorination rearrangement of beta-fluoroenones toward enones under mild conditions in aqueous media was also discovered. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.065

文献信息

• [EN] BIOMARKERS FOR CANCER THERAPY USING MDM2 ANTAGONISTS<br/>[FR] BIOMARQUEURS POUR LA THÉRAPIE ANTICANCÉREUSE UTILISANT DES ANTAGONISTES DE MDM2
  申请人：[en]OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：WO2022185260A1

  公开（公告）日：2022-09-09

  The invention provides DNA damage response (DDR) pathway genes and their gene products as biomarkers to predict effective treatment of cancer using an MDM2 antagonist. Identifying one or more DDR pathway biomarkers in a cancer patient allows a determination to be made whether the patient's cancer is likely to be successfully treated using an MDM2 antagonist. Accordingly, the invention relates generally to a companion diagnostic for MDM2 antagonist therapy. In particular, the DDR pathway comprises one or more genes from: the homologous recombination repair (HRR) pathway; the non-homologous end joining (NHEJ) pathway; the mismatch repair (MMR) pathway; the Fanconi Anemia (FA) pathway; and/or the base excision repair (BER) pathway.