phosphoric acid 1-chloroethyl ester diethyl ester | 118600-37-6

• 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 1-chloroethyl ester diethyl ester
• 英文别名: 1-Chloroethyl diethyl phosphate
• CAS: 118600-37-6
• 化学式: C₆H₁₄ClO₄P
• 分子量: 216.602
• InChiKey: JEAMXJMHGWCVTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  75-100 °C(Press: 1-4 Torr)
• 密度：
  1.177 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二乙基乙烯基磷酸酯 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 100.0 ℃ 、600.0 kPa 条件下， 反应 0.25h， 生成 phosphoric acid 1-chloroethyl ester diethyl 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

文献信息

• PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER
  申请人：Jacobsen Eric Jon

  公开号：US20180208594A1

  公开（公告）日：2018-07-26

  Disclosed herein are arylpyridinone compounds and compositions useful in the treatment of ITK mediated diseases, such as inflammation, having the structure of Formula (I): wherein R 1 , R 2 , and X are as defined in the detailed description. Methods of inhibition of ITK activity in a human or animal subject are also provided.

  本文披露了一种在治疗ITK介导的疾病（如炎症）中有用的芳基吡啶酮化合物和组合物，其具有以下结构（I）：其中R1、R2和X如详细描述中所定义。还提供了在人类或动物主体中抑制ITK活性的方法。
• 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.
• US4083789A
  申请人：——

  公开号：US4083789A

  公开（公告）日：1978-04-11
• US5622999A
  申请人：——

  公开号：US5622999A

  公开（公告）日：1997-04-22
• 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.