(o-CH3C6H4CH2O)2 | 74765-71-2

• 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: (o-CH3C6H4CH2O)2
• 英文别名: 1,1'-[Peroxybis(methylene)]bis(2-methylbenzene)；1-methyl-2-[(2-methylphenyl)methylperoxymethyl]benzene
• CAS: 74765-71-2
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: FRXUBIFYAYIGHS-UHFFFAOYSA-N

物化性质

• 沸点：
  352.2±31.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5,15-bis(2-methoxyphenyl)-2,8,12,18-tetra-n-butyl-3,7,13,17-tetramethylporphyrinato)zinc 、 (o-CH3C6H4CH2O)2 以 邻二甲苯 为溶剂， 生成
  参考文献：
  名称：

  Kinetics of Zn-5,15-di(ortho-methyloxyphenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin oxidation by organic peroxides in o-xylene

  摘要：

  A spectrophotometric and quantum chemical (PM3) study of the structure and properties of Zn-5,15-di(ortho-methyloxyphenyl)-2,8,12,18-tetramethyl-3,7,13,17- tetrabutylporphyrin (ZnP(I)) in its oxidation with organic peroxides in o-xylene at T = 295 K is presented. The kinetic parameters (k(app), k(v)) of this reaction are reported. The reactivities of strained zinc porphyrinates (ZnP(I), Zn-5,15-di(ortho-methyloxyphenyl)-2,3,7,8,12,13,17,18-octamethylporphyrin (ZnP(II)), and a zinc porphyrin with a 2,5-dimethoxyphenylene "cover" (ZnP(III))) are compared. The electronic and conformational properties of the macrocycle are significant factors in the interaction of the metalloporphyrins with the peroxides. The structures of the reactants and intermediates have been calculated by the PM3 method. The macrocycle of ZnP(I) has a distorted structure. The degree and type of distortion are estimated. When reacting with the peroxides, the metalloporphyrin changes its structure so that the macrocycle becomes still more strained, and this enhances its reactivity.

  DOI：

  10.1134/s0036023610060215

文献信息

• Kinetics of the reactions of “capped” zinc 5,15-(1,4-bis(2′-phenylenoxymethylene)-phenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrinate) with organic peroxides in o-xylene
  作者：O. R. Simonova、S. V. Zaitseva、O. I. Koifman

  DOI：10.1134/s1070328411020114

  日期：2011.3

  The reactions of "capped" zinc porphyrinate with organic peroxides were studied by spectrophotometry. The reaction rate constant was determined (0.417 s(-1) mol(-1) l(-1)). The variation of the imidazole concentration in the reaction mixture changed the composition of the reactants and increased the reaction rate by 1.3-5.3 times. The geometric characteristics of isolated molecules of the reactants and intermediates were obtained by the PM3 quantum-chemical method. The calculated structures of these compounds were flat and characterized by a distorted macrocycle. An increase in steric strains of the macrocycles of the molecular complex with imidazole and of the imidazole-containing reaction intermediates was shown.
• HYBRID SILICONE COMPOSITION FOR LIGHT EMITTING DEVICE
  申请人：Ablestik (Shanghai) Limited

  公开号：EP2630193A1

  公开（公告）日：2013-08-28
• US9085651B2
  申请人：——

  公开号：US9085651B2

  公开（公告）日：2015-07-21
• [EN] HYBRID SILICONE COMPOSITION FOR LIGHT EMITTING DEVICE<br/>[FR] COMPOSITION DE SILICIUM HYBRIDE POUR UN DISPOSITIF D'ÉMISSION DE LUMIÈRE
  申请人：ABLESTIK SHANGHAI LTD

  公开号：WO2012051749A1

  公开（公告）日：2012-04-26

  Transparency, mechanical strength and resistance against heat as well as photo-degradation of a silicone-based curable composition shall be improved. This is achieved by providing a curable composition comprising: (A) at least one organopolysiloxane represented by the composition formula (1): (R13Si01/2)a(R12Si02/2)b(R1 R2SiO2/2)c(R1SiO3/2)d(R2SiO3/2)e(R12R2SiO1/2)f (1), wherein each R1 independently represents a monovalent organic group having 1 to 20 carbon atoms or an OH group with the proviso that at each silicon-atom bearing no R2 at least one R1 represents a monovalent organic group having 1 to 20 carbon atoms, each R2 independently represents a methacryloxyalkyl group having 5 to 20 carbon atoms and a, b, c, d, e, f each represent the fraction of the number of the respective units based on the number of all units of the organopolysiloxane and satisfy a ≥ 0, b ≥ 0, c ≥ 0, d ≥ 0, e ≥ 0, f ≥ 0 and also satisfy c+e > 0 and a+b+c+d+e+f = 1; and (B) at least one curing catalyst. A transparent product can be obtained after curing of the aforementioned silicone composition that exhibits excellent discoloration resistance and good mechanical strength. Therefore, the product is ideal for encapsulation of LED (light emitting device) elements.
• Kinetics of Zn-5,15-di(ortho-methyloxyphenyl)-2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrin oxidation by organic peroxides in o-xylene
  作者：S. V. Zaitseva、O. R. Simonova、S. A. Zdanovich、O. I. Koifman

  DOI：10.1134/s0036023610060215

  日期：2010.6

  A spectrophotometric and quantum chemical (PM3) study of the structure and properties of Zn-5,15-di(ortho-methyloxyphenyl)-2,8,12,18-tetramethyl-3,7,13,17- tetrabutylporphyrin (ZnP(I)) in its oxidation with organic peroxides in o-xylene at T = 295 K is presented. The kinetic parameters (k(app), k(v)) of this reaction are reported. The reactivities of strained zinc porphyrinates (ZnP(I), Zn-5,15-di(ortho-methyloxyphenyl)-2,3,7,8,12,13,17,18-octamethylporphyrin (ZnP(II)), and a zinc porphyrin with a 2,5-dimethoxyphenylene "cover" (ZnP(III))) are compared. The electronic and conformational properties of the macrocycle are significant factors in the interaction of the metalloporphyrins with the peroxides. The structures of the reactants and intermediates have been calculated by the PM3 method. The macrocycle of ZnP(I) has a distorted structure. The degree and type of distortion are estimated. When reacting with the peroxides, the metalloporphyrin changes its structure so that the macrocycle becomes still more strained, and this enhances its reactivity.