1-amino-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-methylenediphosphonic acid | 1605320-77-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 1-amino-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-methylenediphosphonic acid
• 英文别名: 1-Amino-1-(3,5-di-t-butyl-4-hydroxyphenyl)-methylenediphosphonic acid；[amino-(3,5-ditert-butyl-4-hydroxyphenyl)-phosphonomethyl]phosphonic acid
• CAS: 1605320-77-1
• 化学式: C₁₅H₂₇NO₇P₂
• 分子量: 395.329
• InChiKey: VKHNFHRILPNKEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  161
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,5-di(tert-butyl)-4-hydroxybenzoic ethyl acid imino ester hydrochloride 在 甲醇 、 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-amino-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-methylenediphosphonic acid
  参考文献：
  名称：

  Synthesis of new types of aminomethylenediphosphorus-containing acids and their derivatives

  摘要：

  Convenient methods for synthesis of various aminomethylenediphosphorus-containing acids and their derivatives starting from available trimethylsilyl esters of hypophosphorous and phosphorous acids, ethoxymethyleneimine hydrochlorides, and N-substituted formamides have been proposed. Selected properties of the obtained compounds have been examined.

  DOI：

  10.1134/s1070363215020048

文献信息

• Synthesis of the New Types of<i>N</i>-Unsubstituted Aminomethylenebisorganophosphorus Acids and Their Derivatives
  作者：Andrey A. Prishchenko、Mikhail V. Livantsov、Olga P. Novikova、Ludmila I. Livantsova、Ivan S. Ershov、Valery S. Petrosyan

  DOI：10.1002/hc.21220

  日期：2015.1

  ABSTRACTThe interaction of trimethylsilyl esters of trivalent organophosphorus acids containing PH and POSiMe3 groups with hydrochlorides of ethoxymethylene imines is a convenient method for the synthesis of new trimethylsilyl esters of N‐unsubstituted aminomethylenebisorganophosphorus acids with three and four coordinated phosphorus. Also trimethylsilyl trifluoromethanesulfonate as effective catalyst is used for the similar interaction of hydrochlorides of ethoxymethylene imines with tris(trimethylsilyl)phosphite. The corresponding bisorganophosphorus acids and their derivatives are presented.
• Synthesis of aminomethylenediphosphonates and their derivatives containing PCNH2 fragments
  作者：A. A. Prishchenko、M. V. Livantsov、O. P. Novikova、L. I. Livantsova、V. S. Petrosyan

  DOI：10.1134/s1070363214030347

  日期：2014.3