4-(Hydroxy(phenyl)methyl)-4-phenylheptane-1,7-diol | 199990-27-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(Hydroxy(phenyl)methyl)-4-phenylheptane-1,7-diol
• 英文别名: 4-[hydroxy(phenyl)methyl]-4-phenylheptane-1,7-diol
• CAS: 199990-27-7
• 化学式: C₂₀H₂₆O₃
• 分子量: 314.425
• InChiKey: XVXKNYNGSKDRDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(Hydroxy(phenyl)methyl)-4-phenylheptane-1,7-diol 、 (S,E)-5-((2-(3-carboxyprop-1-en-1-yl)-6-hydroxy-4-methoxybenzoyl)oxy)hexanoic acid 在 Chirazyme-L₉ 、 sodium sulfate 作用下， 以 甲基叔丁基醚 为溶剂， 反应 120.0h， 以90%的产率得到(4S,20E)-26-hydroxy-13-[hydroxy(phenyl)methyl]-24-methoxy-4-methyl-13-phenyl-3,9,17-trioxabicyclo[20.4.0]hexacosa-1(22),20,23,25-tetraene-2,8,18-trione
  参考文献：
  名称：

  Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone

  摘要：

  Combinatorial biocatalysis was applied to generate a diverse set of dihydroxymethylzearalenone analogs with modified ring structure. In one representative chemoenzymatic reaction sequence, dihydroxymethylzearalenone was first subjected to a unique enzyme-catalyzed oxidative ring opening reaction that creates two new carboxylic groups on the molecule. These groups served as reaction sites for further derivatization involving biocatalytic ring closure reactions with structurally diverse bifunctional reagents, including different diols and diamines. As a result, a library of cyclic bislactones and bislactams was created, with modified ring structures covering chemical space and structure activity relationships unattainable by conventional synthetic means. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.04.005

文献信息

• MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF
  申请人：INDSPEC CHEMICAL CORPORATION

  公开号：EP1812487A2

  公开（公告）日：2007-08-01
• Modified phenolic novolak resins and applications thereof
  申请人：Durairaj B. Raj

  公开号：US20060069191A1

  公开（公告）日：2006-03-30

  A modified phenolic novolak resin is prepared by reacting a phenolic compound (e.g., resorcinol) with an aliphatic polyol. The reaction mixture further reacts with a formaldehyde to produce a modified phenolic novolak resin. The reaction is typically carried out in the presence of an acid or a base catalyst. The resulting resin is characterized by a relatively low level of free resorcinol; and rubber compounds containing the resin exhibit low fuming, lower Mooney viscosity (which means better processing), better dynamic stiffness properties (G′), and/or good tear properties. Therefore, the resulting resin can be used as a methylene acceptor compound in a vulcanizable rubber composition.
• US7498371B2
  申请人：——

  公开号：US7498371B2

  公开（公告）日：2009-03-03
• [EN] MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF<br/>[FR] RESINES NOVOLAQUES PHENOLIQUES MODIFIEES ET LEURS APPLICATIONS
  申请人：INDSPEC CHEMICAL CORP

  公开号：WO2006036760A2

  公开（公告）日：2006-04-06

  A modified phenolic novolak resin is prepared by reacting a phenolic compound (e.g., resorcinol) with an aliphatic polyol. The reaction mixture further reacts with a formaldehyde to produce a modified phenolic novolak resin. The reaction is typically carried out in the presence of an acid or a base catalyst. The resulting resin is characterized by a relatively low level of free resorcinol; and rubber compounds containing the resin exhibit low fuming, lower Mooney viscosity (which means better processing), better dynamic stiffness properties (G'), and/or good tear properties. Therefore, the resulting resin can be used as a methylene acceptor compound in a vulcanizable rubber composition.
• Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone
  作者：Joseph O. Rich、Cheryl L. Budde、Luke D. McConeghey、Ian C. Cotterill、Vadim V. Mozhaev、Sheo B. Singh、Michael A. Goetz、Annie Zhao、Peter C. Michels、Yuri L. Khmelnitsky

  DOI：10.1016/j.bmcl.2009.04.005

  日期：2009.6

  Combinatorial biocatalysis was applied to generate a diverse set of dihydroxymethylzearalenone analogs with modified ring structure. In one representative chemoenzymatic reaction sequence, dihydroxymethylzearalenone was first subjected to a unique enzyme-catalyzed oxidative ring opening reaction that creates two new carboxylic groups on the molecule. These groups served as reaction sites for further derivatization involving biocatalytic ring closure reactions with structurally diverse bifunctional reagents, including different diols and diamines. As a result, a library of cyclic bislactones and bislactams was created, with modified ring structures covering chemical space and structure activity relationships unattainable by conventional synthetic means. Published by Elsevier Ltd.