7-溴-1,1,1-三氟-2-庚酮 | 647831-24-1

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 7-溴-1,1,1-三氟-2-庚酮
• 英文名称: 7-bromo-1,1,1-trifluoroheptan-2-one
• 英文别名: 7-bromo-1,1,1-trifluoro-2-heptanone；7-Bromo-1,1,1-trifluoroheptan-2-one
• CAS: 647831-24-1
• 化学式: C₇H₁₀BrF₃O
• 分子量: 247.055
• InChiKey: MAIKVCCDZVUYAQ-UHFFFAOYSA-N

物化性质

• 沸点：
  223.5±40.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-溴-1,1,1-三氟-2-庚酮 在 sodium methylate 、 三溴化硼 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.75h， 生成 2,6-Diamino-5-(7,7,7-trifluoro-6-oxoheptyl)pyrimidin-4(1H)-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of simplified α-Keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase

  摘要：

  A series of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues lacking the benzoylglutamate subunit were prepared and examined as potential inhibitors of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide transformylase (AICAR Tfase). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00456-5
• 作为产物：
  描述：

  6-溴己酰氯 、 三氟乙酸酐 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以40%的产率得到7-溴-1,1,1-三氟-2-庚酮
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of simplified α-Keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase

  摘要：

  A series of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues lacking the benzoylglutamate subunit were prepared and examined as potential inhibitors of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide transformylase (AICAR Tfase). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00456-5

文献信息

• STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS
  申请人：The Procter & Gamble Company

  公开号：US20180072970A1

  公开（公告）日：2018-03-15

  Disclosed are novel stable violet-blue to blue imidazolium azo compounds that have a simplified chromophore and high relative solubility in aqueous systems, and that are stable under the conditions of use and storage. The compounds are useful for dyeing fibers such as fabrics and hair, as fabric hueing agents, and as dyes for other keratinaceous materials. Also disclosed are laundry care compositions comprising the imidazolium azo compounds and methods of using the compositions.

  本发明涉及一种新型的稳定的紫蓝至蓝色咪唑啉偶氮化合物，其具有简化的色团和在水系中具有较高的溶解度，且在使用和储存条件下稳定。这些化合物可用于染色纤维，如织物和头发，作为织物染色剂，以及用于其他角蛋白质材料的染料。还公开了包含咪唑啉偶氮化合物的洗涤护理组合物以及使用这些组合物的方法。
• Method of coloring hair with washfast blue imidazolium direct dye compounds
  申请人：Noxell Corporation

  公开号：US10034823B2

  公开（公告）日：2018-07-31

  Described herein is a method of dyeing the hair. The method includes applying to the hair a hair color composition including one or more direct dye compounds and rinsing the hair with water. The one or more direct dye compounds each include a blue-violet or blue chromophore, one or two permanent cations, one to four incipient cations, and one or more hydrophobic moieties. The incipient cations are pendant to the core structure and are neutral. The direct dye compounds enter the hair shaft after the hair color composition is applied to the hair. The hair color composition has a pH of from about 6 to about 11. The pH of the hair after rinsing is from about 3.5 to about 6. The rinsing of the hair causes one or more of the one to four incipient cations to change from neutral to positively charged inside of the hair shaft.

  本文描述的是一种染发方法。该方法包括将包括一种或多种直接染料化合物的染发组合物涂在头发上，然后用水冲洗头发。一种或多种直接染料化合物各自包括蓝紫色或蓝色发色团、一种或两种永久阳离子、一至四种初生阳离子和一种或多种疏水分子。初生阳离子与核心结构相连，呈中性。染发组合物涂抹在头发上后，直接染料化合物会进入发干。染发组合物的 pH 值约为 6 到 11。冲洗头发后，头发的 pH 值约为 3.5 至 6。冲洗头发会使一至四个惰性阳离子中的一个或多个在发轴内部从中性变为带正电。
• Polymers and methods for their manufacture
  申请人：Rensselaer Polytechnic Institute

  公开号：US10435504B2

  公开（公告）日：2019-10-08

  Embodiments of the invention relate to a novel class of polymers with superior mechanical properties and chemical stability, as compared to known polymers. These polymers are particularly well suited for use in anion exchange membranes (AEMs), including those employed in fuel cells. Novel methods for the manufacture of these polymers are also described.

  本发明的实施方案涉及一类新型聚合物，与已知聚合物相比，这类聚合物具有更优越的机械性能和化学稳定性。这些聚合物特别适合用于阴离子交换膜（AEM），包括用于燃料电池的阴离子交换膜。此外，还介绍了制造这些聚合物的新方法。
• Anion exchange polymers and anion exchange membranes incorporating same
  申请人：Xergy Inc.

  公开号：US11173456B2

  公开（公告）日：2021-11-16

  An anion exchange membrane is made by mixing 2 trifluoroMethyl Ketone [nominal] (1.12 g, 4.53 mmol), 1 Biphenyl (0.70 g, 4.53 mmol), methylene chloride (3.0 mL), trifluoromethanesulfonic acid (TFSA) (3.0 mL) to produce a pre-polymer. The pre-polymer is then functionalized to produce an anion exchange polymer. The pre-polymer may be functionalized with trimethylamine in solution with water. The pre-polymer may be imbibed into a porous scaffold material, such as expanded polytetrafluoroethylene to produce a composite anion exchange membrane.

  将 2 三氟甲基酮[标称]（1.12 克，4.53 毫摩尔）、1 联苯（0.70 克，4.53 毫摩尔）、二氯甲烷（3.0 毫升）、三氟甲磺酸（TFSA）（3.0 毫升）混合制成预聚物，从而制成阴离子交换膜。然后对预聚物进行官能化处理，生成阴离子交换聚合物。预聚物可在水溶液中与三甲胺官能化。预聚物可浸入多孔支架材料（如膨体聚四氟乙烯）中，生成复合阴离子交换膜。
• Carbon dioxide environmental control system
  申请人：Xergy Inc.

  公开号：US11213785B2

  公开（公告）日：2022-01-04

  An electrochemical system utilizes an anion conducting layer disposed between an anode and a cathode for transporting a working fluid. The working fluid may include carbon dioxide that is dissolved in water and is partially converted to carbonic acid that is equilibrium with bicarbonate anion. An electrical potential across the anode and cathode creates a pH gradient that drives the bicarbonate anion across the anion conducting layer to the cathode, wherein it is reformed into carbon dioxide. Therefore, carbon dioxide is pumped across the anion conducting layer.

  一种电化学系统利用设置在阳极和阴极之间的阴离子导电层来传输工作流体。工作流体可包括溶解在水中的二氧化碳，并部分转化为与碳酸氢根阴离子平衡的碳酸。横跨阳极和阴极的电势会产生 pH 梯度，促使碳酸氢根阴离子穿过阴离子传导层到达阴极，在阴极转化为二氧化碳。因此，二氧化碳被泵过阴离子传导层。