Cyclohexanol-Radikal | 2143-60-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cyclohexanol-Radikal
• CAS: 2143-60-4
• 化学式: C₆H₁₁O
• 分子量: 99.1527
• InChiKey: VUBFDOMQDJSJBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  丙烯酸丁酯 、 Cyclohexanol-Radikal 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Radical Addition Rate Constants to Acrylates and Oxygen:  α-Hydroxy and α-Amino Radicals Produced by Photolysis of Photoinitiators

  摘要：

  Laser flash photolysis of alpha-hydroxy and alpha-amino ketones, which are used as photoinitiators in free radical polymerization, lead to the generation of a series of nucleophilic alpha-hydroxy and alpha-amino radicals. Absolute addition rate constants of these radicals to n-butylacrylate and oxygen were measured by laser flash photolysis employing an indirect probe technique. Crystal violet and N,N'-bis(2,5-di-tert-butylphenyl)-3,4,9, 10-perylenedicarboximide were used as selective probe molecules for these nucleophilic initiator radicals to measure the addition rate constants to n-butylacrylate and oxygen, respectively. High acrylate addition rate constants of some initiator radicals were found in acetonitrile solution; e.g., dimethylketyl radical (k(acrylate) = 1.3 x 10(7) M-1 s(-1)) and 2-morpholino propan-2-yl radical (k(acrylate) = 2.9 x 10(7) M-1 s(-1)).

  DOI：

  10.1021/ja9837194
• 作为产物：
  描述：

  环己醇 在 二叔丁基过氧化物 作用下， 以 2-甲基-2-丁醇 为溶剂， 生成 Cyclohexanol-Radikal
  参考文献：
  名称：

  溶液中脂肪族酮基自由基阴离子的电子顺磁共振谱

  摘要：

  已经开发了用于在溶液中产生脂族酮基自由基阴离子的改进方法，以通过EPR光谱研究。这些方法包括对钾在相应醇中的溶液进行光解（可能通过初始电子转移到溶剂中进行），或在强碱性条件下通过光解生成的叔丁氧基从相应醇中提取氢原子。描述了许多新的醛和酮自由基离子的EPR光谱，并将其与共轭酸的光谱进行了比较。a（13的值发现丙酮自由基阴离子中的C-α）为52.2 G，确认它是非平面的。环己酮自由基阴离子中环的反转的Arrhenius参数为E a = 6.6 kcal mol –1，log（A / s –1）= 13.2。

  DOI：

  10.1039/p29920000163

文献信息

• Probing the Reactivity of Photoinitiators for Free Radical Polymerization:  Time-Resolved Infrared Spectroscopic Study of Benzoyl Radicals
  作者：Christopher S. Colley、David C. Grills、Nicholas A. Besley、Steffen Jockusch、Pavel Matousek、Anthony W. Parker、Michael Towrie、Nicholas J. Turro、Peter M. W. Gill、Michael W. George

  DOI：10.1021/ja026099m

  日期：2002.12.1

  of substituted benzoyl radicals has been generated by laser flash photolysis of alpha-hydroxy ketones, alpha-amino ketones, and acyl and bis(acyl)phosphine oxides, all of which are used commercially as photoinitiators in free radical polymerizations. The benzoyl radicals have been studied by fast time-resolved infrared spectroscopy. The absolute rate constants for their reaction with n-butylacrylate

  通过 α-羟基酮、α-氨基酮以及酰基和双（酰基）氧化膦的激光闪光光解产生了一系列取代的苯甲酰基自由基，所有这些都在商业上用作自由基聚合中的光引发剂。苯甲酰基自由基已通过快速时间分辨红外光谱进行了研究。在乙腈溶液中测量它们与丙烯酸正丁酯、苯硫酚、溴三氯甲烷和氧气反应的绝对速率常数。苯甲酰基自由基加成到丙烯酸正丁酯的速率常数范围从 1.3 x 10(5) 到 5.5 x 10(5) M(-1) s(-1) 并且比丙烯酸正丁酯低约 2 个数量级除了由所研究酮的 α 裂解产生的反自由基之外。已经进行了密度泛函理论计算，以使观察到的引发自由基的反应性合理化。通过酰基和双（酰基）氧化膦的光解产生的磷中心自由基的计算表明，P原子马利肯自旋群是磷中心自由基相对反应性的指标。(2,4,6-三甲基苯甲酰基) 氧化膦的 α 裂解通过皮秒泵浦探针和纳秒步进扫描时间分辨红外光谱进行了研究。结果支持一种机制，其中 α
• The thermal charge-transfer reduction of uranyl UO22+(VI) to UO2+(V) by various functionalized organic compounds, and evidence for possible spin-spin interactions between UO2+(V) and hydroxymethyl ( CH2OH) radical and between UO2+(V) and diphenyl sulfide radical cation (Ph2S+)
  作者：Xiaoping Sun、Derrick R.J. Kolling、Seth Deskins、Ethan Adkins

  DOI：10.1016/j.ica.2018.07.049

  日期：2018.11

  ArO radical (singlet, g = 1.98), respectively. Both EPR and UV-Vis studies indicate that the reactions followed the ground-state charge-transfer mechanisms similar to that of the UO22+/methanol reaction. EPR evidence supported formation of the [UO2+, Ph2S+ ] ion-radical pair in the charge-transfer reaction of UO22+ and Ph2S and spin-spin interactions within the ion-radical pair. The sulfuric-acid-catalyzed

  摘要线性铀酰UO22 +（VI）阳离子（D∞h对称）在无水甲醇和甲醇-水混合物中的UV-Vis光谱中于350–400 nm处显示强而宽的吸收。吸收强度（由375 nm处的吸光度表示）分别直接与甲醇和UO22 +（VI）的摩尔浓度成正比。线性关系表明形成了电子给体-受体（EDA）络合物[UO22 +，CH3OH]。在350–400 nm处的吸收来自[UO22 +，CH3OH]络合物中从CH3OH（电子供体）到UO22 +（电子受体）的电荷转移（单电子转移）。对UO22 + -CH3OH和UO22 + -CH3OH-H2O各种混合物的电子顺磁共振（EPR）研究表明，电荷转移在黑暗中也很缓慢，导致CH3OH将UO22 +（VI）热还原为UO2 +（V）（单峰，g = 2.08），并且CH3OH被氧化为羟甲基C H自由基（产生轴向信号）。据信电荷转移氧化还原反应是通过EDA [UO22 +，C
• Oxidation of secondary cyclic alcohols by Pb(OAc)4 catalyzed by Cu(II) compounds
  作者：N. I. Kapustina、A. Yu. Popkov、R. G. Gasanov、G. I. Nikishin

  DOI：10.1007/bf00953412

  日期：1988.10
• Quantitative Rate Constants for Radical Reactions in the Nanopores of Cotton
  作者：Paula Hunt、David R. Worrall、Frank Wilkinson、Stephen N. Batchelor

  DOI：10.1021/ja0201808

  日期：2002.7.1

  The understanding of radical reactions in nanostructured materials is important for developing new synthetic procedures and controlling degradation reactions. To develop this area, an easy method for measuring quantitative rate constants of some radical reactions in nanostructures is required. A simple method for measuring the rate constant of dye bleaching, kdye, by organic radicals in such materials is introduced, involving the measurement of microsecond bleaching kinetics by diffuse reflectance spectroscopy, following laser flash creation of the radicals. Using wet and dry cotton as model substrates, we obtained kdye of 2-hydroxy-2-propyl and 1-hydroxy-1-cyclohexyl radicals with reactive red 3 and reactive orange 4 and compared them to solution-phase values. Surprisingly, the reactions in cotton follow simple liquid-phase kinetics and are diffusion-controlled. A cage effect in cotton is also found.
• Lloyd, Roger V.; Causey, J. Guy, Journal of the Chemical Society. Perkin transactions II, 1981, p. 1143 - 1147
  作者：Lloyd, Roger V.、Causey, J. Guy

  DOI：——

  日期：——