1-(4-氟苯基)辛烷-1-酮 | 111829-15-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-氟苯基)辛烷-1-酮
• 英文名称: 1-(4-fluorophenyl)octan-1-one
• CAS: 111829-15-3
• 化学式: C₁₄H₁₉FO
• 分子量: 222.303
• InChiKey: PLVCSXVDCKBMLB-UHFFFAOYSA-N

物化性质

• 沸点：
  305.2±15.0 °C(Predicted)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-氟苯基)辛烷-1-酮 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  신규 화합물, 그것을 함유하는 감방사선성 조성물, 및 경화막

  摘要：

  本发明旨在提供一种具有低蒸发性、在使用光引发剂时具有高辐射敏感度并且具有优异溶解性的新化合物，以及能够形成具有高表面硬度和透明度的硬化膜的辐射硬化组合物。本发明的第一形态是化合物，如化学式1所示。本发明的第二形态是包含作为[A]光引发剂的上述化合物和具有[B]乙烯性不饱和双键的聚合物化合物的辐射硬化组合物。该辐射硬化组合物最好还包含[C]碱性可溶性树脂。

  公开号：

  KR101748881B1
• 作为产物：
  描述：

  1-(4-Fluoro-phenyl)-octan-1-ol 在 chromium(VI) oxide 、 叔丁基过氧化氢 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以93%的产率得到1-(4-氟苯基)辛烷-1-酮
  参考文献：
  名称：

  Highly Efficient Chromium-Catalyzed Oxidation of Secondary Benzylic Alcohols by Aqueous 70%tert-Butyl Hydroperoxide

  摘要：

  用铬(VI)氧化物/叔丁基过氧化氢体系将二级苄醇氧化为酮的反应与芳基上存在的甲基、卤素、甲氧基、乙酰氧基或硝基取代基，以及烷基侧链上的不饱和性兼容。苄醇的反应产物则产生了苯甲醛和苯甲酸的混合物。

  DOI：

  10.1055/s-1993-25941

文献信息

• [EN] OXIME ESTER PHOTOINITIATORS<br/>[FR] PHOTO-INITIATEURS À BASE D'ESTER D'OXIME
  申请人：BASF SE

  公开号：WO2021175855A1

  公开（公告）日：2021-09-10

  Disclosed are α-oxo oxime ester compounds based on carbazole derivatives which have specific substituent groups useful as a photoinitiator, as well as photopolymerizable compositions comprising said photoinitiator and ethylenically unsaturated compounds. The photopolymerizable compositions are useful, for example, in photoresist formulations for display applications, e.g. liquid crystal display (LCD), organic light emitting diode (OLED) and touch panel.

  揭示了基于咔唑衍生物的α-氧代肟酯化合物，其具有特定取代基，可用作光引发剂，以及包括所述光引发剂和乙烯不饱和化合物的光聚合组合物。这些光聚合组合物可用于例如显示应用的光阻配方，例如液晶显示器（LCD）、有机发光二极管（OLED）和触摸面板。
• α‐Arylation, α‐Arylative Esterification, or Acylation: A Stoichiometry‐Dependent Trichotomy in the Pd‐Catalyzed Cross‐Coupling between Aldehydes and Aryl Bromides
  作者：Pradeep Nareddy、Clément Mazet

  DOI：10.1002/asia.201300724

  日期：2013.11

  Three′s company: The selective α‐arylation and α‐arylative esterification of linear and branched aldehydes is reported for a variety of bromoarenes. The acylation of aryl bromides can be achieved with linear aldehydes (see scheme). All these transformations were performed with a single [(N‐heterocyclic carbene)Pd] catalyst through adjustment of the stoichiometry of the reagents and the appropriate

  Three's company：报道了各种溴代芳烃对直链和支链醛的选择性α-芳基化和α-芳基酯化反应。芳基溴化物的酰化可通过线性醛来实现（参见方案）。所有这些转化都是通过调整试剂的化学计量和适当的碱，使用单一的[（N-杂环卡宾）Pd]催化剂进行的。
• Palladium and visible-light mediated carbonylative Suzuki–Miyaura coupling of unactivated alkyl halides and aryl boronic acids
  作者：Sara Roslin、Luke R. Odell

  DOI：10.1039/c7cc02763j

  日期：——

  Herein, a simple and efficient method for the palladium-catalyzed carbonylation of aryl boronic acids with unactivated alkyl iodides and bromides under visible-light irradiation, ambient temperature and low CO-pressure is presented. Notably, the procedure uses readily available equipment and an inexpensive palladium catalyst to generate the key alkyl radical intermediate. These mild conditions enabled

  本文提出了一种简单有效的方法，在可见光，环境温度和低CO压力下，用未活化的烷基碘和溴化物对芳基硼酸进行钯催化的羰基化反应。值得注意的是，该方法使用容易获得的设备和廉价的钯催化剂来生成关键的烷基自由基中间体。这些温和的条件使得能够合成多种功能化的芳基烷基酮，包括抗精神病药美拉酮。
• Iron Catalyst for Oxidation in Water: Surfactant-type Iron Complex-catalyzed Mild and Efficient Oxidation of Aryl Alkanes Using Aqueous TBHP as Oxidant in Water
  作者：Takashi Nagano、Shu Kobayashi

  DOI：10.1246/cl.2008.1042

  日期：2008.10.5

  Surfactant-type iron(III) complex, Fe 2 O(DS) 4 , was found to be effective for benzylic oxidation of simple aryl alkanes using aqueous t-butyl hydroperoxide (TBHP) as an oxidant.

  发现表面活性剂型铁 ​​(III) 配合物 Fe 2 O(DS) 4 可有效用于使用叔丁基氢过氧化物 (TBHP) 作为氧化剂的简单芳基烷烃的苄基氧化。
• Block of human NaV1.5 sodium channels by novel α-hydroxyphenylamide analogues of phenytoin
  作者：Paul W. Lenkowski、Seong-Hoon Ko、James D. Anderson、Milton L. Brown、Manoj K. Patel

  DOI：10.1016/j.ejps.2004.01.004

  日期：2004.4

  Voltage-gated sodium (Na) channels are a critical component of electrically excitable cells. Phenytoin (diphenylhydantoin, DPH) is an established sodium channel blocker and is a useful anticonvulsant and class 1b antiarrhythmic, and has been effectively used in the treatment of neuropathic pain. In this study, we have synthesized novel alpha-hydroxyphenylamide analogues of diphenylhydantoin and examined their ability to inhibit human Na(v)1.5 sodium channels expressed in Chinese Hamster Ovary (CHO-K1) cells. Phenyl ring substitutions were examined including para-methyl, para-fluoro, para-chloro, ortho-chloro and meta-chloro. We have found that phenyl ring substitutions with electron withdrawing properties resulted in compounds with greater activity. In comparison to diphenylhydantoin, the novel chloro-substituted (alpha-hydroxyphenylamide compounds produced as much as a 20-fold greater tonic and frequency-dependent blockade of Na(v)1.5 channels with an IC50 value of 14.5 muM. In addition, the chloro-substitutions have position specific state dependent blocking properties. The ortho-, ineta- and para-chloro substitutions have an 8-, 13- and 3-fold increased affinity for the inactivated state, respectively. Molecular modeling suggests that these differences in affinity are due to a direct interaction with the receptor. Comparing models of diphenylhydantoin to the novel alpha-hydroxyphenlyamide compound suggests that the increased activity may be due to an optimized phenyl ring position and increased molecular volume. This information may be useful in the development of more potent sodium channel blockers. (C) 2004 Elsevier B.V. All rights reserved.