(1-bromo-1-trifluoromethoxymethyl)phenylketone | 1171146-42-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-bromo-1-trifluoromethoxymethyl)phenylketone
• 英文别名: 2-Bromo-1-phenyl-2-(trifluoromethoxy)ethanone
• CAS: 1171146-42-1
• 化学式: C₉H₆BrF₃O₂
• 分子量: 283.045
• InChiKey: IEZGZCYELYBLHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-bromo-1-trifluoromethoxymethyl)phenylketone 、 硫脲 以 1,4-二氧六环 、 水 为溶剂， 反应 8.0h， 以96%的产率得到4-phenyl-5-trifluoromethoxythiazol-2-ylamine
  参考文献：
  名称：

  Efficient synthesis of 5′-fluoroalkoxythiazoles via α-bromo-α-fluoroalkoxyacetophenones Hantzsch type cyclization with thioureas or thioamides

  摘要：

  Novel alpha-fluoroalkoxyacetophenones were synthesized by addition of the readily available 2,2-dimethoxy-2-phenylethanol to fluoroolefins. alpha-Bromination yielded alpha-bromo-alpha-fluoroalkoxyacetophenones, which on treatment with thioureas or thioamides gave thiazoles with fluoroalkoxy groups at the 5'-position by the Hantzsch-type cyclization. This provides a versatile methodology for the construction of heterocycles from aliphatic fluoroalkoxy containing building blocks. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.01.005
• 作为产物：
  描述：

  1-phenyl-2-(trifluoromethoxy)ethanone 在 N-溴代丁二酰亚胺(NBS) 、 对甲苯磺酸 作用下， 以 四氯化碳 为溶剂， 以95%的产率得到(1-bromo-1-trifluoromethoxymethyl)phenylketone
  参考文献：
  名称：

  一些新型酮基和苯乙烯基三氟甲氧基化合成子的制备和反应性

  摘要：

  我们描述了通过初始氟脱硫反应制备 2-三氟甲氧基苯乙酮以及 β-三氟甲氧基苯乙烯衍生物。这些化合物的合成和反应性与脂肪族三氟甲氧基引起的扰动有关。

  DOI：

  10.1055/s-0028-1088155

文献信息

• Benzimidazole derivatives and their use as KDR kinase protein inhibitors
  申请人：Babin Didier

  公开号：US20050009894A1

  公开（公告）日：2005-01-13

  The invention discloses and claims benzimidazole compounds of formula (I): wherein X is C—R2; Y is C—R2 or C—R3; W and Z are each C—R3; R1 is an optionally substituted aryl, heteroaryl or a saturated 5- or 6-membered monocyclic heterocyclic radical or a bicyclic heterocyclic radical; and A5 is H or alkyl; or a stereoisomer, a racemate, an enantiomer or a diastereoisomer of said compound of formula (I) or a pharmaceutically acceptable salt thereof; the use of compounds of formula (I) for the treatment of a disorder of proliferation of blood vessels, uncontrolled angiogenesis, a fibrotic disorder, a disorder of proliferation of mesangial cells, a metabolic disorder, allergy, asthma, thrombosis, a disease of the nervous system, retinopathy, psoriasis, rheumatoid arthritis, diabetes, muscle degeneration, solid tumors and cancers, pharmaceutical compositions comprising a compound of formula (I) and one or more pharmaceutically acceptable adjuvants or diluents and pharmaceutical compositions comprising a compound of formula (I) and one or more. antimitiotic agents.

  该发明公开和要求具有以下结构的苯并咪唑化合物（I）：其中X为C—R2；Y为C—R2或C—R3；W和Z均为C—R3；R1为选择性取代的芳基、杂环芳基或饱和的5-或6-成员单环杂环基或双环杂环基；A5为H或烷基；或者为该化合物的立体异构体、拉克酸盐、对映异构体或二对映异构体；该化合物的用途为治疗血管增殖障碍、不受控制的血管生成、纤维化障碍、系膜细胞增殖障碍、代谢障碍、过敏、哮喘、血栓形成、神经系统疾病、视网膜病变、银屑病、类风湿性关节炎、糖尿病、肌肉退化、实体肿瘤和癌症的药物组合物包括化合物（I）和一个或多个药用辅料或稀释剂，以及包括化合物（I）和一个或多个抗有丝分裂剂的药物组合物。
• BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2758380A1

  公开（公告）日：2014-07-30
• [EN] BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS<br/>[FR] DÉRIVÉS D'ACIDE BENZOÏQUE EN TANT QU'INHIBITEURS D'EIF4E
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013041468A1

  公开（公告）日：2013-03-28

  Disclosed are compounds with the formula (I), where R1 and R2 are as disclosed herein, which are eIF4E inhibitors useful in the treatment of cancers. Also disclosed are compositions comprising the compounds, as well as methods of treating cancer using the compounds.