2-Cyclohexylbenzene-1-peroxol | 30305-71-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Cyclohexylbenzene-1-peroxol
• 英文别名: 1-cyclohexyl-2-hydroperoxybenzene
• CAS: 30305-71-6
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.25
• InChiKey: YAQYQIOWYHHPAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Method for oxidizing hydrocarbons
  申请人：——

  公开号：US20030176733A1

  公开（公告）日：2003-09-18

  The invention relates to a method for oxidizing substrates such as hydrocarbons, waxes or soot. The method involves the use of a compound of formula (I) in which: R1 and R2 represent H, an aliphatic or aromatic alkoxy radical, carboxyl radical, alkoxycarbonyl radical or hydrocarbon radical, each having 1 to 20 hydrocarbon atoms, SO3H, NH2, OH, F, Cl, Br, I and/or NO2, whereby R1 and R2 designate identical or different radicals or R1 and R2 can be linked to one another via a covalent bonding; Q1 and Q2 represent C, CH, N, CR5, each being the same or different; X and Z represent C, S, CH2, each being the same or different; Y represents O and OH; k=0, 1, 2; l=0, 1, 2; m=1 to 3, and; R5 represents one of the meanings of R1. Said compound is used as a catalyst in the presence of a radical initiator, whereby the molar ratio of the catalyst to the hydrocarbon is less than 10 mol %. Peroxy compounds or azo compounds can be used as the radical initiator. Preferred substrates are aliphatic or aromatic hydrocarbons.

  该发明涉及一种氧化底物（如烃、蜡或烟尘）的方法。该方法涉及使用式（I）的化合物，其中：R1和R2代表H、脂肪或芳香烷氧基基、羧基、烷氧羰基基或烃基，每个基有1到20个碳氢原子，SO3H、NH2、OH、F、Cl、Br、I和/或NO2，其中R1和R2表示相同或不同的基团，或者R1和R2可以通过共价键相连；Q1和Q2代表C、CH、N、CR5，每个基相同或不同；X和Z代表C、S、CH2，每个基相同或不同；Y代表O和OH；k=0、1、2；l=0、1、2；m=1到3；R5代表R1的一种含义。所述化合物作为催化剂在自由基引发剂存在下使用，其中催化剂与烃的摩尔比小于10mol％。过氧化物或偶氮化合物可用作自由基引发剂。首选底物为脂肪或芳香烃。
• [EN] OXIDATION OF CYCLOHEXYLBENZENE<br/>[FR] OXYDATION DU CYCLOHEXYLBENZÈNE
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2013095791A1

  公开（公告）日：2013-06-27

  In a process for oxidizing cyclohexylbenzene, a composition comprising cyclohexylbenzene is contacted with oxygen in at least one oxidation zone under oxidation conditions sufficient to produce at least some (i) cyclohexylbenzene hydroperoxide; (ii) a first byproduct; and (iii) a second byproduct in an effluent. A ratio β is determined according to the following formula: (I) wherein A is the amount of the first byproduct in the effluent and B is the amount of the second byproduct in the effluent. The ratio β is then maintained above a threshold value or adjusted above a threshold value.

  在氧化环己基苯的过程中，将含有环己基苯的组合物在至少一个氧化区域中与氧接触，在氧化条件下足以产生至少一些（i）环己基苯过氧化物；（ii）第一副产物；和（iii）在流出物中的第二副产物。根据以下公式确定比率β：（I），其中A是流出物中第一副产物的量，B是流出物中第二副产物的量。然后保持比率β在阈值以上或调整至阈值以上。
• [EN] DEHYDROGENATION OF CYCLOHEXANONE TO PRODUCE PHENOL<br/>[FR] DÉSHYDROGÉNATION DE CYCLOHEXANONE POUR PRODUIRE DU PHÉNOL
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2011096989A1

  公开（公告）日：2011-08-11

  In a process for the dehydrogenation of cyclohexanone to produce phenol, a feed comprising cyclohexanone is contacted with a dehydrogenation catalyst under dehydrogenation conditions comprising a temperature of less than 4000C and a pressure of less than 690 kPa, gauge, such 0.1 to 50 wt% of the cyclohexanone in said feed is converted to phenol and the dehydrogenation product contains less than 100 ppm by weight of alkylbenzenes.

  在将环己酮脱氢制备酚的过程中，与脱氢催化剂接触的进料包括环己酮，在脱氢条件下，包括温度低于400摄氏度和压力低于690千帕，绝对值，使得进料中的环己酮的0.1至50重量%转化为酚，而脱氢产物中含有的烷基苯低于100 ppm重量。
• PROCESS FOR PRODUCING ALKYLATED AROMATIC COMPOUNDS AND PROCESS FOR PRODUCING PHENOLS
  申请人：Ohkubo Tsuneyuki

  公开号：US20120004471A1

  公开（公告）日：2012-01-05

  According to a process of the invention, a ketone, an aromatic compound and hydrogen as starting materials are reacted together in a single reaction step to produce an alkylaromatic compound in high yield. A process for producing phenols in the invention includes a step of performing the above alkylation process and does not increase the number of steps compared to the conventional cumene process. The process for producing alkylated aromatic compounds includes reacting an aromatic compound such as benzene, a ketone such as acetone and hydrogen in the presence of a solid acid substance, preferably a zeolite, and a silver-containing catalyst.

  根据本发明的一种方法，酮类、芳香化合物和氢气作为起始物料在单个反应步骤中反应，以高产率生产烷基芳烃化合物。本发明中生产酚的方法包括执行上述烷基化过程的步骤，并且与传统的甲苯过程相比不增加步骤数量。生产烷基芳烃化合物的方法包括在固体酸物质（最好是沸石）和含银催化剂的存在下，反应芳香化合物（如苯）、酮类（如丙酮）和氢气。
• [EN] OXIDATION OF HYDROCARBONS<br/>[FR] OXYDATION D'HYDROCARBURES
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2009058531A1

  公开（公告）日：2009-05-07

  In a process for oxidizing a hydrocarbon to the corresponding hydroperoxide, alcohol, ketone, carboxylic acid or dicarboxylic acid, a reaction medium comprising a hydrocarbon is contacted with an oxygen-containing gas in the presence of a catalyst comprising a cyclic imide of the general formula (I): wherein each of R1 and R2 is independently selected from hydrocarbyl and substituted hydrocarbyl radicals having 1 to 20 carbon atoms, or from the groups SO3H, NH2, OH and NO2, or from the atoms H, F, Cl, Br and I provided that R1 and R2 can be linked to one another via a covalent bond; each of Q1 and Q2 is independently selected from C, CH, N, and CR3; each of X and Z is independently selected from C, S, CH2, N, P and an element of Group 4 of the Periodic Table; Y is O or OH; k is O, 1, or 2; 1 is 0, 1, or 2; m is 1 to 3; and R3 can be any of the entities listed for R1. The contacting is conducted under conditions such as to maintain the concentration of both water and organic acids in the reaction medium below 50 ppm.

  在氧化烃类物质制备相应的过氧化物、醇、酮、羧酸或二羧酸的过程中，通过将包含烃类物质的反应介质与含氧气的气体在催化剂存在下接触，所述催化剂包括符合通式（I）的环戊二酰亚胺，其中R1和R2中的每个均独立选择自具有1至20个碳原子的烃基和取代烃基基团，或来自SO3H、NH2、OH和NO2基团，或来自H、F、Cl、Br和I原子，前提是R1和R2可以通过共价键连接在一起；Q1和Q2中的每个均独立选择自C、CH、N和CR3；X和Z中的每个均独立选择自C、S、CH2、N、P和周期表第4族元素；Y为O或OH；k为O、1或2；l为0、1或2；m为1至3；R3可以是R1列出的任何实体。接触是在条件下进行的，以使反应介质中水和有机酸的浓度均保持在50ppm以下。