bis(2-phenylethyl) m-phthalate | 16034-15-4

• 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: bis(2-phenylethyl) m-phthalate
• 英文别名: Isophthalic acid, diphenylethyl ester；bis(2-phenylethyl) benzene-1,3-dicarboxylate
• CAS: 16034-15-4
• 化学式: C₂₄H₂₂O₄
• 分子量: 374.436
• InChiKey: UCVIXIKMOPCQDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 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：

  bis(2-phenylethyl) m-phthalate 、 四氯化钛 在 CH₂Cl₂ 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 di-μ-{bis(2-phenylethyl) m-phthalate}octachlorodititanium(IV)*bis(dichloromethane)
  参考文献：
  名称：

  The crystal structure and properties of di-μ-[bis(2-phenylethyl) m-phthalate]octachlorodititanium(IV) bis(dichloromethane)

  摘要：

  The dimeric complex [Ti2{mu-m-C6H4(CO2CH2CH2Ph)2}2Cl8], is, in the presence of activators, a good catalyst for olefin polymerization, its crystal structure has been determined by X-ray diffraction methods and refined by block-diagonal least-squares to R = 0.041 for 3027 independent non-zero reflections. The crystals are monoclinic, space group P2(1)/c with Z = 2, in a unit cell of dimensions: a = 13.145(9), b = 10.816(8), c = 21.530(14) angstrom, beta = 108.84(6)-degrees. The crystals consist of dimers possessing a crystallographic symmetry centre and dichloromethane molecules. Titanium atoms are octahedrally coordinated by four chlorine atoms and two carbonyl oxygen atoms of two bis(2-phenylethyl) m-phthalate in the cis position. Two ester ligands and two titanium atoms form a sixteen-membered ring.

  DOI：

  10.1016/0022-328x(91)80198-s
• 作为产物：
  描述：

  苯乙醇 、 间苯二甲酰氯 在 zirconyl chloride 作用下， 以 neat (no solvent) 为溶剂， 反应 0.02h， 以90.81%的产率得到bis(2-phenylethyl) m-phthalate
  参考文献：
  名称：

  Programming of microwave-assisted synthesis of new isophthalate derivatives using ZrOCl2 as a catalyst under solvent-free condition by experimental design

  摘要：

  In this investigation, isophthalate derivatives were prepared by the reaction of isophthaloyl dichloride with various alcohol derivatives using ZrOCl2 as an efficient, green and a heterogeneous catalyst under microwave irradiation and solvent-free condition. Optimization of the reaction condition was studied by the response surface method (Box Behnken Design (BBD)) with three replicates at a central point for developing a second order model. Predicting response values using the obtained model were in a good accordance with the experimental results. Clean reaction, easy workup procedure, the reusability of the catalyst, short reaction times and high yields were some advantages of this work. (C) 2014 Published by Elsevier B.V.

  DOI：

  10.1016/j.molcata.2014.06.014

文献信息

• Programming of microwave-assisted synthesis of new isophthalate derivatives using ZrOCl2 as a catalyst under solvent-free condition by experimental design
  作者：Mohammad Ali Zolfigol、Ardeshir Khazaei、Negin Sarmasti、Jaber Yousefi Seyf、Vahid Khakyzadeh、Ahmad Reza Moosavi-Zare

  DOI：10.1016/j.molcata.2014.06.014

  日期：2014.11

  In this investigation, isophthalate derivatives were prepared by the reaction of isophthaloyl dichloride with various alcohol derivatives using ZrOCl2 as an efficient, green and a heterogeneous catalyst under microwave irradiation and solvent-free condition. Optimization of the reaction condition was studied by the response surface method (Box Behnken Design (BBD)) with three replicates at a central point for developing a second order model. Predicting response values using the obtained model were in a good accordance with the experimental results. Clean reaction, easy workup procedure, the reusability of the catalyst, short reaction times and high yields were some advantages of this work. (C) 2014 Published by Elsevier B.V.
• The crystal structure and properties of di-μ-[bis(2-phenylethyl) m-phthalate]octachlorodititanium(IV) bis(dichloromethane)
  作者：Piotr Sobota、Józef Utko、Tadeusz Lis

  DOI：10.1016/0022-328x(91)80198-s

  日期：1991.10

  The dimeric complex [Ti2mu-m-C6H4(CO2CH2CH2Ph)2}2Cl8], is, in the presence of activators, a good catalyst for olefin polymerization, its crystal structure has been determined by X-ray diffraction methods and refined by block-diagonal least-squares to R = 0.041 for 3027 independent non-zero reflections. The crystals are monoclinic, space group P2(1)/c with Z = 2, in a unit cell of dimensions: a = 13.145(9), b = 10.816(8), c = 21.530(14) angstrom, beta = 108.84(6)-degrees. The crystals consist of dimers possessing a crystallographic symmetry centre and dichloromethane molecules. Titanium atoms are octahedrally coordinated by four chlorine atoms and two carbonyl oxygen atoms of two bis(2-phenylethyl) m-phthalate in the cis position. Two ester ligands and two titanium atoms form a sixteen-membered ring.