2,2'-Dihydroxy-4''-isopropyltriphenylmethane

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2,2'-Dihydroxy-4''-isopropyltriphenylmethane
• 英文别名: 2-[(2-Hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol；2-[(2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
• 化学式: C₂₂H₂₂O₂
• 分子量: 318.415
• InChiKey: AGTSYHLNDYXUJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-异丙基苯甲醛 、 以 甲苯 为溶剂， 反应 5.0h， 以87%的产率得到2,2'-Dihydroxy-4''-isopropyltriphenylmethane
  参考文献：
  名称：

  Metal-Template Electrophilic Substitution on Phenols: Synthesis and Crystal Structure of Bromomagnesium Phenolate and Its Reactive Complex withpara-Isopropylbenzaldehyde

  摘要：

  AbstractThe crystal structures of the bromomagnesium phenolate 5 and its complex 7 with para‐isopropylbenzaldehyde are reported; for the first time it has been possible to demonstrate that the reactive complex 7, responsible for the complete ortho‐regioselective control in the alkylation of phenoxymagnesium bromides with aldehydes, is not obtained by simple replacement of the ethereal ligand but by expansion of the metal coordination sphere from 4 (usual tetrahedral configuration) to 5. We infer from 1H NMR studies that the magnesium coordination of complex 7 in solution is analogous to that shown in the solid state, with a complexed ethereal molecule.

  DOI：

  10.1002/chem.19970030814

文献信息

• POLYCARBONATE BLEND WITH LAW SMOKE GENERATION
  申请人：Covestro LLC

  公开号：EP2970660A1

  公开（公告）日：2016-01-20
• [EN] POLYCARBONATE BLEND WITH LAW SMOKE GENERATION<br/>[FR] MÉLANGE DE POLYCARBONATE AVEC FAIBLE GÉNÉRATION DE FUMÉE
  申请人：BAYER MATERIALSCIENCE LLC

  公开号：WO2014164097A1

  公开（公告）日：2014-10-09

  The present invention provides a polycarbonate composition which contains polycarbonate, a thermoplastic polyester, a graft copolymer, polylactic acid. The inventive composition exhibits low smoke generation.
• Metal-Template Electrophilic Substitution on Phenols: Synthesis and Crystal Structure of Bromomagnesium Phenolate and Its Reactive Complex withpara-Isopropylbenzaldehyde
  作者：Gabriele Bocelli、Andrea Cantoni、Giovanni Sartori、Raimondo Maggi、Franca Bigi

  DOI：10.1002/chem.19970030814

  日期：1997.8

  AbstractThe crystal structures of the bromomagnesium phenolate 5 and its complex 7 with para‐isopropylbenzaldehyde are reported; for the first time it has been possible to demonstrate that the reactive complex 7, responsible for the complete ortho‐regioselective control in the alkylation of phenoxymagnesium bromides with aldehydes, is not obtained by simple replacement of the ethereal ligand but by expansion of the metal coordination sphere from 4 (usual tetrahedral configuration) to 5. We infer from 1H NMR studies that the magnesium coordination of complex 7 in solution is analogous to that shown in the solid state, with a complexed ethereal molecule.