phosphoric acid bis-(2,6-dimethyl-phenyl) ester vinyl ester | 869058-03-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: phosphoric acid bis-(2,6-dimethyl-phenyl) ester vinyl ester
• 英文别名: Bis(2,6-dimethylphenyl) vinyl phosphate；bis(2,6-dimethylphenyl) ethenyl phosphate
• CAS: 869058-03-7
• 化学式: C₁₈H₂₁O₄P
• 分子量: 332.336
• InChiKey: RVVVBDDRVOFABD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phosphoric acid bis-(2,6-dimethyl-phenyl) ester vinyl ester 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 170.0 ℃ 、2.0 MPa 条件下， 反应 0.5h， 生成 phosphoric acid 1-chloroethyl ester bis-(2,6-dimethyl-phenyl) ester
  参考文献：
  名称：

  Convenient microwave-assisted synthesis of 1-chloroethyl phosphates

  摘要：

  An efficient microwave-assisted synthesis of 1-chloroethyl phosphates was developed. Protected vinyl chlorophosphates undergo a fast conversion to the chloroethylidene phosphates in the presence of HCl with excellent yields up to 900 times faster than at the standard NTP conditions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.063
• 作为产物：
  描述：

  四氢呋喃 、 双(2,6-二甲苯基)磷酰氯 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 19.25h， 以35%的产率得到phosphoric acid bis-(2,6-dimethyl-phenyl) ester vinyl ester
  参考文献：
  名称：

  An Efficient Strategy for the Synthesis of 1-Chloroethyl Phosphates and Phosphoramidates

  摘要：

  [GRAPHIC]A versatile, efficient, and simple method for the preparation of various 1-chloroethyl phosphates and phosphoramidates is described. The protected chlorophosphates or phosphoramidates are synthesized to the vinyl derivative under mild conditions, followed by conversion to the chloroethylidene phosphate or phosphoramidate by dry HCl gas, resulting in good to excellent yields. 1-Chloroethyl phosphates and phosphoramidates are excellent building blocks for the synthesis of novel ethylidene-linked phosphate prodrugs.

  DOI：

  10.1021/jo0513562

文献信息

• An Efficient Strategy for the Synthesis of 1-Chloroethyl Phosphates and Phosphoramidates
  作者：Hanna Kumpulainen、Tomi Järvinen、Raimo Saari、Marko Lehtonen、Jouko Vepsäläinen

  DOI：10.1021/jo0513562

  日期：2005.10.1

  [GRAPHIC]A versatile, efficient, and simple method for the preparation of various 1-chloroethyl phosphates and phosphoramidates is described. The protected chlorophosphates or phosphoramidates are synthesized to the vinyl derivative under mild conditions, followed by conversion to the chloroethylidene phosphate or phosphoramidate by dry HCl gas, resulting in good to excellent yields. 1-Chloroethyl phosphates and phosphoramidates are excellent building blocks for the synthesis of novel ethylidene-linked phosphate prodrugs.
• Convenient microwave-assisted synthesis of 1-chloroethyl phosphates
  作者：Hanna Kumpulainen、Raimo Saari、Marko Lehtonen、Jarkko Rautio、Tomi Järvinen、Jouko Vepsäläinen

  DOI：10.1016/j.tetlet.2006.01.063

  日期：2006.3

  An efficient microwave-assisted synthesis of 1-chloroethyl phosphates was developed. Protected vinyl chlorophosphates undergo a fast conversion to the chloroethylidene phosphates in the presence of HCl with excellent yields up to 900 times faster than at the standard NTP conditions. (c) 2006 Elsevier Ltd. All rights reserved.