4'-bromo-3-methylvalerophenone | 159208-74-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4'-bromo-3-methylvalerophenone
• 英文别名: 1-(4-Bromophenyl)-3-methylpentan-1-one
• CAS: 159208-74-9
• 化学式: C₁₂H₁₅BrO
• 分子量: 255.155
• InChiKey: FOSTXQOUKNPXMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  4'-bromo-3-methylvalerophenone 在 钯 氢氧化钾 、 copper(l) iodide 、 三乙胺 、 肼 作用下， 生成
  参考文献：
  名称：

  Room-Temperature Discotic Nematic Liquid Crystals

  摘要：

  The use of discotic nematic liquid crystals instead of calamitic nematic liquid crystals to improve the viewing angle of a liquid crystal display device has recently been reported. Compared to the large number of calamitic molecules showing nematic phase at room temperature, the number of disk-shaped molecules showing subambient discotic nematic phase N-D are rare. In this paper we present the design, synthesis, mesomorphic behaviour and structure-property relationship of discotic nematic liquid crystals based on benzene multiyne core.

  DOI：

  10.1080/15421400390213573
• 作为产物：
  描述：

  3-甲基戊酸 在 三氯化铝 、 草酰氯 作用下， 生成 4'-bromo-3-methylvalerophenone
  参考文献：
  名称：

  Room-Temperature Discotic Nematic Liquid Crystals

  摘要：

  The use of discotic nematic liquid crystals instead of calamitic nematic liquid crystals to improve the viewing angle of a liquid crystal display device has recently been reported. Compared to the large number of calamitic molecules showing nematic phase at room temperature, the number of disk-shaped molecules showing subambient discotic nematic phase N-D are rare. In this paper we present the design, synthesis, mesomorphic behaviour and structure-property relationship of discotic nematic liquid crystals based on benzene multiyne core.

  DOI：

  10.1080/15421400390213573

文献信息

• Iron-Catalyzed Oxyalkylation of Terminal Alkynes with Alkyl Iodides
  作者：Weili Deng、Changqing Ye、Yajun Li、Daliang Li、Hongli Bao

  DOI：10.1021/acs.orglett.8b03689

  日期：2019.1.4

  A general oxyalkylation of terminal alkynes enabled by iron catalysis has been developed. Primary and secondary alkyl iodides acted as the alkylating reagents and afforded a range of α-alkylated ketones under mild reaction conditions. Acetyl tert-butyl peroxide (TBPA) was used as the radical relay precursor, providing the initiated methyl radical to start the radical relay process. Preliminary mechanistic

  已经开发了通过铁催化实现的末端炔烃的一般氧基烷基化。伯和仲烷基碘充当烷基化试剂，并在温和的反应条件下提供一系列α-烷基化的酮。乙酰基叔丁基过氧化物（TBPA）用作自由基中继前体，提供引发的甲基自由基以启动自由基中继过程。进行了初步的机理研究，并对天然产物衍生物进行了后期功能化。
• Synthesis and methemoglobinemia-inducing properties of analogues of para-aminopropiophenone designed as humane rodenticides
  作者：David Rennison、Daniel Conole、Malcolm D. Tingle、Junpeng Yang、Charles T. Eason、Margaret A. Brimble

  DOI：10.1016/j.bmcl.2013.10.046

  日期：2013.12

  A number of structural analogues of the known toxicant para-aminopropiophenone (PAPP) have been prepared and evaluated for their capacity to induce methemoglobinemia-with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed for alkyl analogues of PAPP (aminophenones 1-20; compound 6 metHb% = 74.1 +/- 2). Besides lipophilicity, this structural sub-class suggested there were certain structural requirements for activity, with both branched (10-16) and cyclic (17-20) alkyl analogues exhibiting inferior in vitro metHb induction. Of the four candidates (compounds 4, 6, 13 and 23) evaluated in vivo, 4 exhibited the greatest toxicity. In parallel, aminophenone bioisosteres, including oximes 30-32, sulfoxide 33, sulfone 34 and sulfonamides 35-36, were found to be inferior metHb inducers to lead ketone 4. Closer examination of Hammett substituent constants suggests that a particular combination of the field and resonance parameters may be significant with respect to the redox mechanisms behind PAPPs metHb toxicity. (C) 2013 Elsevier Ltd. All rights reserved.