Di-4-nitrobenzyl phosphite | 779280-37-4

• 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: Di-4-nitrobenzyl phosphite
• 英文别名: Bis[(4-nitrophenyl)methyl] hydrogen phosphite
• CAS: 779280-37-4
• 化学式: C₁₄H₁₃N₂O₇P
• 分子量: 352.24
• InChiKey: UAMUACQSLSUIRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Method for Producing Sodium Fosphenytoin
  申请人：Zinser Hartmut

  公开号：US20070219378A1

  公开（公告）日：2007-09-20

  Sodium fosphenytoin, 5,5-diphenyl-3-[(phosphonooxy)methyl]imidazolidine-2,4-dione disodium salt, a known anticonvulsive, antiepileptic and antiarrhythmic, can be prepared by reacting 3-hydroxymethyl-5,5-diphenylimidazoline-2,4-dione with a phosphorous acid diester or triester activated by an oxidizing agent, whose ester groups can be selectively cleaved from the reaction product, cleaving the ester groups from the resulting phosphoric acid diester 2,5-dioxo-4,4-diphenyl-imidazolidin-1-ylmethyl ester and converting the resulting 5,5-diphenyl-3-[(phosphonooxy)methyl]imidazolidine-2,4-dione to its disodium salt. The oxidizing agent is advantageously a halogenating agent such as elemental bromine or N-bromosuccinimide, and the phosphorous acid ester used is advantageously dibenzyl phosphite. Of particular importance—even taken on its own—is the fact that a phosphoric acid diester 2,5-dioxo-4,4-diphenylimidazolidin-1-ylmethyl ester, whose phosphoric acid diester structural element can be selectively cleaved, can be converted to 5,5-diphenyl-3-[(phosphonooxy)methyl]imidazolidine-2,4-dione and the latter converted to its disodium salt in a single operation.

  磷酸盐酯类活化剂反应3-羟甲基-5,5-二苯基咪唑啉-2,4-二酮，制备出已知的抗惊厥、抗癫痫和抗心律失常药物，即5,5-二苯基-3-[(磷酸酯氧基)甲基]咪唑啉-2,4-二酮二钠盐。其酯基可以从反应产物中选择性地裂解，使得2,5-二氧代-4,4-二苯基咪唑啉-1-基甲酯磷酸盐酯的酯基被裂解，从而得到5,5-二苯基-3-[(磷酸酯氧基)甲基]咪唑啉-2,4-二酮，再将其转化为二钠盐。优选的氧化剂是卤化剂，如元素溴或N-溴代琥珀酰亚胺，优选的磷酸盐酯是二苯甲基膦酸酯。特别重要的是，可以通过单步操作将可以选择性裂解磷酸二酯结构元素的2,5-二氧代-4,4-二苯基咪唑啉-1-基甲酯磷酸盐酯转化为5,5-二苯基-3-[(磷酸酯氧基)甲基]咪唑啉-2,4-二酮，然后将其转化为二钠盐。
• US4120689A
  申请人：——

  公开号：US4120689A

  公开（公告）日：1978-10-17