1-methoxy-1-t-amylperoxycyclohexane | 125768-93-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 1-methoxy-1-t-amylperoxycyclohexane
• 英文别名: 1-methoxy-1-tert-amylperoxycyclohexane；TAPMC；1-methoxy-1-(1,1-dimethylpropylperoxy) cyclohexane；1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane；1-methoxy-1-(2-methylbutan-2-ylperoxy)cyclohexane
• CAS: 125768-93-6
• 化学式: C₁₂H₂₄O₃
• 分子量: 216.321
• InChiKey: MGIDEDVBLNEGDG-UHFFFAOYSA-N

物化性质

• 密度：
  0.95 at 20℃
• LogP：
  4.04 at 25℃ and pH5

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methoxy-1-t-amylperoxycyclohexane 在 异丙苯 作用下， 生成 2-甲基-2-丁醇 、 己酸甲酯 、 丙酮 、
  参考文献：
  名称：

  Substituent Effects of Alkyl Groups on the Decomposition of tert-Alkyl Peroxides

  摘要：

  In order to clarify substituent effects of alkyl groups on the decomposition of various tert-alkyl peroxides (RCMe(2)OOR'), the decomposition of 1-methoxy-1-(tert-alkylperoxy)cyclohexanes 3 and 1,1-bis(tert-alkylperoxy)cyclohexanes 4 has been studied by use of methods of kinetics and product analysis in cumene with the range of temperatures from 80-110 degrees C and compared with those of the corresponding peroxyesters (1; R' = CO-t-Bu) and dialkyl peroxides (2; R' = t-Bu). The decomposition rates for each peroxide series decrease in the following order: 1 much greater than 3 much greater than 4 much greater than 2. The decomposition rate for the series of peroxides 1 decreases in the following order: R = t-BuCH(2) much greater than i-Pr much greater than Et > Pr > Me. But, for the series of peroxides 2, 3, and 4, R = t-BuCH(2) much greater than i-Pr much greater than Pr > Et much greater than Me. The decomposition rate is expressed by a modified Taft equation: log k(d) = rho*Sigma sigma(CH2R)* + nh + C, which contains both inductive and C-H hyperoconjugation effects of alkyl groups. On the basis of the isokinetic relationship of the activation parameters, the Taft equation, and the decomposition products, the decomposion mechanism via an polar activation complex having a slightly stretched C-alpha - C-beta bond neighboring to the peroxy oxygen atom is suggested and the abnormal behavior of neopentyl group is discussed.

  DOI：

  10.1021/jo00122a035
• 作为产物：
  描述：

  环己酮二甲缩酮 、 特戊基过氧化氢 在 对甲苯磺酸 作用下， 以 二甲基亚砜 为溶剂， 以67.1%的产率得到1-methoxy-1-t-amylperoxycyclohexane
  参考文献：
  名称：

  Substituent Effects of Alkyl Groups on the Decomposition of tert-Alkyl Peroxides

  摘要：

  In order to clarify substituent effects of alkyl groups on the decomposition of various tert-alkyl peroxides (RCMe(2)OOR'), the decomposition of 1-methoxy-1-(tert-alkylperoxy)cyclohexanes 3 and 1,1-bis(tert-alkylperoxy)cyclohexanes 4 has been studied by use of methods of kinetics and product analysis in cumene with the range of temperatures from 80-110 degrees C and compared with those of the corresponding peroxyesters (1; R' = CO-t-Bu) and dialkyl peroxides (2; R' = t-Bu). The decomposition rates for each peroxide series decrease in the following order: 1 much greater than 3 much greater than 4 much greater than 2. The decomposition rate for the series of peroxides 1 decreases in the following order: R = t-BuCH(2) much greater than i-Pr much greater than Et > Pr > Me. But, for the series of peroxides 2, 3, and 4, R = t-BuCH(2) much greater than i-Pr much greater than Pr > Et much greater than Me. The decomposition rate is expressed by a modified Taft equation: log k(d) = rho*Sigma sigma(CH2R)* + nh + C, which contains both inductive and C-H hyperoconjugation effects of alkyl groups. On the basis of the isokinetic relationship of the activation parameters, the Taft equation, and the decomposition products, the decomposion mechanism via an polar activation complex having a slightly stretched C-alpha - C-beta bond neighboring to the peroxy oxygen atom is suggested and the abnormal behavior of neopentyl group is discussed.

  DOI：

  10.1021/jo00122a035

文献信息

• Preparation of expandable styrene polymers
  申请人：Atofina Chemicals, Inc.

  公开号：EP1408056A1

  公开（公告）日：2004-04-14

  Enhanced conversion rates are realized in a suspension polymerization process for styrene through the use of peroxide initiators having one hour half life temperatures from 101° to 111° C are disclosed. Also disclosed are suitable initiator combinations which provide polymeric products with low residual monomer content at reduced process temperatures, polymerizable compositions containing such initiators and products produced by such processes and compositions.

  公开了在苯乙烯悬浮聚合工艺中，通过使用半衰期为一小时、温度为 101°C 至 111°C 的过氧化物引发剂，可提高转化率。此外，还公开了合适的引发剂组合，可在较低的工艺温度下提供残余单体含量较低的聚合产品、含有此类引发剂的可聚合组合物以及通过此类工艺和组合物生产的产品。
• Process for the preparation of expandable polystyrene
  申请人：ARKEMA FRANCE

  公开号：EP2105457A1

  公开（公告）日：2009-09-30

  The present invention relates to a process for the preparation of expandable polystyrene comprising the following steps : - i°) heating an aqueous suspension comprising styrene monomer and at least one organic peroxide initiator of formula (I) 1-alkoxy-1-t-alkylperoxycyclohexane in which the alkoxy group contains 1 to 4 carbon atoms, the t-alkyl group contains 4 to 12 carbon atoms, and the cyclohexane ring may optionally be substituted with 1 to 3 alkyl groups each, independently having 1 to 3 carbon atoms, at a temperature ranging from 100°C to 120°C, - ii°) adding a blowing agent selected from the group consisting of alkanes having from 4 to 6 carbon atoms and mixtures thereof. The invention also relates to an expandable polystyrene obtainable according to such a process and to insulation parts and packaging comprising such an expandable polystyrene.

  本发明涉及一种制备可膨胀聚苯乙烯的工艺，包括以下步骤 ： - i°) 在 100°C 至 120°C 的温度下，加热包含苯乙烯单体和至少一种式(I)1-烷氧基-1-t-烷基过氧环己烷的有机过氧化物引发剂的水悬浮液，其中烷氧基含有 1 至 4 个碳原子，t-烷基含有 4 至 12 个碳原子，环己烷环可任选被 1 至 3 个烷基取代，每个烷基独立地具有 1 至 3 个碳原子、 - ii°) 加入一种发泡剂，该发泡剂选自具有 4 至 6 个碳原子的烷烃及其混合物。 本发明还涉及一种可通过这种工艺获得的可发性聚苯乙烯，以及包含这种可发 性聚苯乙烯的绝缘部件和包装。
• Promoters for peroxides in aqueous treatment fluids
  申请人：Arkema Inc.

  公开号：US10138413B2

  公开（公告）日：2018-11-27

  The addition of at least one promoter selected from the group consisting of thiosulfate salts, sulfite salts, bisulfite salts, erythorbate salts, isoascorbate salts, and combinations thereof to an aqueous treatment fluid containing a viscosifying polymer and a peroxide helps to promote the activity of the peroxide as a breaker, thus facilitating a reduction in viscosity of the aqueous treatment fluid at lower temperatures than are possible in the absence of the promoter. The promoted aqueous treatment fluid is useful as a fracture fluid to fracture subterranean formations in oil and gas recovery.

  在含有增粘聚合物和过氧化物的水处理液中添加至少一种促进剂，这种促进剂选自硫代硫酸盐、亚硫酸盐、亚硫酸氢盐、赤藓酸盐、异赤藓酸盐及其组合组成的组，有助于促进过氧化物作为破坏剂的活性，从而促进水处理液在较低温度下的粘度降低，而在没有促进剂的情况下，粘度可能会降低。经促进的水处理液可用作压裂液，在石油和天然气开采中压裂地下地层。
• Compositions and methods for breaking hydraulic fracturing fluids
  申请人：Arkema Inc.

  公开号：US10294414B2

  公开（公告）日：2019-05-21

  A breaker composition for use in a fracturing fluid comprises water, at least one peroxide (e.g., tert-butyl hydroperoxide), and optionally at least one alcohol (e.g., propylene glycol and/or a butyl alcohol). The peroxide(s) and optional alcohol(s) are present in amounts effective to reduce the viscosity of a fracturing fluid at a temperature of 90-300 F. (the “breaking temperature”), and to prevent rehealing of the fracturing fluid, i.e., to maintain the reduced viscosity for a period of time after the temperature is reduced from the breaking temperature to a temperature below the breaking temperature (e.g., after the temperature is reduced from the breaking temperature to room temperature).

  一种用于压裂液的破碎剂组合物包括水、至少一种过氧化物（如叔丁基过氧化氢）和可选的至少一种醇（如丙二醇和/或丁醇）。过氧化物和任选醇的用量可有效降低压裂液在 90-300 华氏度温度（"破裂温度"）下的粘度，并防止压裂液重新凝固，即在温度从破裂温度降低到低于破裂温度之后（例如，温度从破裂温度降低到室温之后）的一段时间内保持降低的粘度。
• Colored organic peroxide compositions
  申请人：Arkema Inc.

  公开号：US10358559B2

  公开（公告）日：2019-07-23

  Stable organic peroxide compositions include at least one organic peroxide (e.g., tert-butyl hydroperoxide), at least one dye (e.g., an FD&C dye), and at least one alcohol (e.g., propylene glycol, tert-butanol, and/or glycerin).

  稳定的有机过氧化物组合物包括至少一种有机过氧化物（如叔丁基过氧化氢）、至少一种染料（如 FD&C 染料）和至少一种醇（如丙二醇、叔丁醇和/或甘油）。