Benzoic acid 4-(dimethoxy-phosphoryl)-2-hydroxy-butyl ester | 926021-53-6

• 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: Benzoic acid 4-(dimethoxy-phosphoryl)-2-hydroxy-butyl ester
• 英文别名: (4-Dimethoxyphosphoryl-2-hydroxybutyl) benzoate
• CAS: 926021-53-6
• 化学式: C₁₃H₁₉O₆P
• 分子量: 302.264
• InChiKey: WLWCEYCYYHKHHX-UHFFFAOYSA-N

物化性质

• 沸点：
  450.2±40.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Benzoic acid 4-(dimethoxy-phosphoryl)-2-hydroxy-butyl ester 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.67h， 生成 [2-Benzoyloxy-4-bis(trimethylsilyloxy)phosphorylbutyl] benzoate
  参考文献：
  名称：

  Synthesis and surface activity of diether-linked phosphoglycerols: Potential applications for exogenous lung surfactants

  摘要：

  The synthesis of three phosphoglycerols is described, one of which contains the previously unknown phosphonoglycerol headgroup. The surface tension-lowering capabilities of synthetic lung surfactant mixtures containing the PG analogs wore measured on the pulsating bubble surfactometer and compared to known controls. The PG-containing mixtures exhibited superior surface tension-lowering properties indicating the significant potential of these analogs as components in synthetic exogenous lung surfactants. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.083
• 作为产物：
  描述：

  2,3-环氧丙基苯甲酸酯 在 正丁基锂 、 三氟化硼乙醚 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.5h， 以75%的产率得到Benzoic acid 4-(dimethoxy-phosphoryl)-2-hydroxy-butyl ester
  参考文献：
  名称：

  WO2008/11559

  摘要：

  公开号：

文献信息

• SYNTHETIC LUNG SURFACTANT AND USE THEREOF
  申请人：Notter Robert H.

  公开号：US20100055164A1

  公开（公告）日：2010-03-04

  The present invention relates to synthetic lung surfactant compositions that contain one or more of phospholipase-resistant phospho-glycerol derivatives, phospholipase-resistant phospho-choline derivatives, and surface active proteins or peptides, more preferably a combination of at least two or all three of these materials. Novel phospholipase-resistant phospho-glycerol derivatives, phospholipase-resistant phospho-choline derivatives, and surface active peptides are also disclosed herein. Uses of the surfactant compositions of the present invention to treat endogenous surfactant dysfunctional or deficient lung tissue, to prepare synthetic peptides for use in the surfactant compositions, and to deliver therapeutic agents are also disclosed.
• US8563683B2
  申请人：——

  公开号：US8563683B2

  公开（公告）日：2013-10-22
• US9447127B2
  申请人：——

  公开号：US9447127B2

  公开（公告）日：2016-09-20
• Synthesis and surface activity of diether-linked phosphoglycerols: Potential applications for exogenous lung surfactants
  作者：Robert H. Notter、Zhongyi Wang、Zhengdong Wang、Jason A. Davy、Adrian L. Schwan

  DOI：10.1016/j.bmcl.2006.09.083

  日期：2007.1

  The synthesis of three phosphoglycerols is described, one of which contains the previously unknown phosphonoglycerol headgroup. The surface tension-lowering capabilities of synthetic lung surfactant mixtures containing the PG analogs wore measured on the pulsating bubble surfactometer and compared to known controls. The PG-containing mixtures exhibited superior surface tension-lowering properties indicating the significant potential of these analogs as components in synthetic exogenous lung surfactants. (c) 2006 Elsevier Ltd. All rights reserved.
• WO2008/11559
  申请人：——

  公开号：——

  公开（公告）日：——