phthalic acid diphenethyl ester | 13330-42-2

• 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: phthalic acid diphenethyl ester
• 英文别名: Phthalic acid, di(2-phenylethyl) ester；bis(2-phenylethyl) benzene-1,2-dicarboxylate
• CAS: 13330-42-2
• 化学式: C₂₄H₂₂O₄
• 分子量: 374.436
• InChiKey: OKZWQVKHTJIFLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phthalic acid diphenethyl ester 、 四氯化钛 以 正己烷 为溶剂， 生成 tetrachloro{bis(2-phenylethyl) o-phthalate}titanium(IV)
  参考文献：
  名称：

  TiIV and Mov complexes with diesters. The crystal structure of [o-C6H4(CO2CH2CH2Ph)2Cl4Ti], [C2O4(CH2CH2Ph)2Cl4Ti] and [o-C6H4(CO2Et)2Cl3MoO] · C6H6

  摘要：

  The crystal structures of [o-C6H4(CO2CH2CH2Ph)2Cl4Ti] (I), in the presence of activators a good catalyst for olefin polymerization, [C2O4(CII2CH2Ph)2Cl4Ti] (II) and [o-C6H4(CO2Et)2Cl3Mo(O)] (III), have been determined by X-ray diffraction methods and refined by a full-matrix least-squares technique to R = 0.036, 0.041 and 0.055 for 2775, 2437 and 2776 independent non-zero reflections for I, II and III, respectively. The crystals of I are triclinic, space group P1BAR with two molecules in a unit cell of dimensions a = 10.475(8), b = 10.078(9), c = 13.683(9) angstrom, alpha = 88.75(7), beta = 72.65(6), gamma = 66.95(7)-degrees. The crystals of II are monoclinic, space group P2(1)/c, with four molecules in a cell with a = 10.045(8), b = 21.032(22), c = 13.193(9) angstrom, beta = 128.91(6)-degrees. The titanium atoms in I and II are octahedrally coordinated by four chlorine and two carbonyl oxygen atoms of coordinated o-diester molecules in the cis position. The crystals of III are triclinic, space group P1BAR, with two molecules in a unit cell of dimensions a = 9.722(12), b = 8.073(12), c = 15.683(21) angstrom, alpha = 83.46(9), beta = 75.81(9), gamma = 67.74(9)-degrees. Three Cl atoms, one oxo oxygen and two O atoms of the carbonyl groups form a distorted octahedron around the molybdenum atom. The chelate ligand atoms and the titanium atom in I or molybdenum atom in III form a seven-membered ring which is five-membered in II.

  DOI：

  10.1016/0022-328x(92)83114-w
• 作为产物：
  描述：

  苯酐 、 苯乙醇 在 vanadyl triflate 作用下， 以 二氯甲烷 为溶剂， 反应 96.0h， 以75%的产率得到phthalic acid monophenethyl ester
  参考文献：
  名称：

  Catalytic Nucleophilic Acyl Substitution of Anhydrides by Amphoteric Vanadyl Triflate

  摘要：

  [GRAPHICS]Among four vanadyl species examined, vanadyl triflate was the most efficient catalyst to facilitate nucleophilic acyl substitution of anhydrides with a myriad array of alcohols, amines, and thiols in high yields and high chemoselectivity. By using mixed-anhydride technique, one can achieve oleate and peptide syntheses. In marked contrast to common metal triflates, the amphoteric character of the V=O unit in vanadyl species was proven to be responsible for the catalytic profile in this process.

  DOI：

  10.1021/ol016684c

文献信息

• [EN] SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS<br/>[FR] AGENTS SOLUBILISANTS POUR COMPOSÉS ACTIFS FONCTIONNELS
  申请人：ISP INVESTMENTS INC

  公开号：WO2016201260A1

  公开（公告）日：2016-12-15

  A photo protective topical composition, comprising: (i) at least one functional active; and (ii) at least one solubilizing compound having the structure of Formula (I): wherein R is C5-C10 cycloalkyl or linear or branched alkylcycloalkyl, wherein the ring size is C5-C7; R1, R2, and R3 are each independently selected from the group consisting of H, and linear or branched C1-C4 alkyl, provided that at least two of R1, R2, R3 are H; wherein the solubilizing compound is present in an amount effective to solubilize said functional active. Also disclosed is a method for treating skin, lips, nails, hair, ears, eyelashes, eyebrows and/or scalp with an effective amount of composition.

  一种光保护性局部组合物，包括：（i）至少一种功能活性物质；和（ii）具有以下结构的至少一种溶解化合物（I）：其中R为C5-C10环烷基或直链或支链烷基环烷基，其中环大小为C5-C7；R1、R2和R3分别独立地选择自H、直链或支链C1-C4烷基的群，但至少两个R1、R2、R3为H；其中所述溶解化合物以有效量存在，以溶解所述功能活性物质。还公开了一种使用有效量的组合物治疗皮肤、嘴唇、指甲、头发、耳朵、睫毛、眉毛和/或头皮的方法。
• Compositions containing phenethyl aryl esters as solubilizing agents for active organic compounds
  申请人：Bertz H. Steven

  公开号：US20050008586A1

  公开（公告）日：2005-01-13

  An active or functional organic compound is solubilized in a phenylethyl ester, e.g. an aryl carboxylic ester of 2-phenylethyl alcohol, as a solvent, cosolvent or additive, to form a composition thereof. Representative active or functional organic compounds include personal care products, e.g. sunscreens containing UVA/UVB absorbing compounds, such as avobenzone and benzophenone-3. Such compositions also show increased critical wavelength and UVA/UVB absorbance ratio performance properties.

  一种活性或功能性有机化合物被溶解在苯乙基酯中，例如2-苯乙醇的芳香羧酸酯，作为溶剂、共溶剂或添加剂，形成其组成物。代表性的活性或功能性有机化合物包括个人护理产品，例如含有UVA/UVB吸收化合物的防晒霜，如对苯二酚和苯甲酮-3。这样的组成物还显示出增加的临界波长和UVA/UVB吸收比性能特性。
• Solubilizing agents for active or functional organic compounds
  申请人：ISP INVESTMENTS LLC

  公开号：US10328003B2

  公开（公告）日：2019-06-25

  A photo protective topical composition, comprising: (i) at least one functional active; and (ii) at least one solubilizing compound having the structure of Formula I: wherein R is C5-C10 cycloalkyl or linear or branched alkylcycloalkyl, wherein the ring size is C5-C7; R1, R2, and R3 are each independently selected from the group consisting of H, and linear or branched C1-C4 alkyl, provided that at least two of R1, R2, R3 are H; wherein the solubilizing compound is present in an amount effective to solubilize said functional active. Also disclosed is a method for treating skin, lips, nails, hair, ears, eyelashes, eyebrows and/or scalp with an effective amount of composition.

  一种光保护外用组合物，包含：(i) 至少一种功能性活性物质；和 (ii) 至少一种具有式 I 结构的增溶剂化合物： 其中 R 是 C5-C10 环烷基或直链或支链烷基环烷基，其中环的大小是 C5-C7；R1、R2 和 R3 各自独立地选自 H 和直链或支链 C1-C4 烷基组成的组，条件是 R1、R2、R3 中至少有两个是 H；其中增溶化合物的存在量能有效增溶所述功能性活性物质。还公开了一种用有效量的组合物治疗皮肤、嘴唇、指甲、头发、耳朵、睫毛、眉毛和/或头皮的方法。
• Method and composition for imparting high shine to a polymeric substrate
  申请人：Bertz H. Steven

  公开号：US20060067900A1

  公开（公告）日：2006-03-30

  A method and composition for imparting high shine to a polymeric substrate such as hair or skin, leather or a plastic which comprises applying thereto a phenylethyl or benzyl ester.

  一种使头发或皮肤、皮革或塑料等聚合物基材具有高光泽度的方法和组合物，包括在基材上涂抹苯乙酯或苄酯。
• Antiperspirant compositions
  申请人：Bertz H. Steven

  公开号：US20060067901A1

  公开（公告）日：2006-03-30

  What is described herein is an antiperspirant composition including an active antiperspirant ingredient, and a phenylethyl, benzyl or substituted benzyl ester as additive therein, which is an aryl carboxylic ester of 2-phenylethyl alcohol, 1-phenylethyl alcohol or benzyl alcohol, which leaves a reduced visible white chalky residue on the skin of the user.

  本文所述的是一种止汗剂组合物，包括一种活性止汗剂成分，以及作为其中添加剂的苯乙酯、苄酯或取代苄酯，后者是 2-苯基乙醇、1-苯基乙醇或苄醇的芳基羧酸酯，可在使用者的皮肤上留下减少的可见白色白垩状残留物。