[(benzhydrylamino)-phenylmethyl]-hydroxy-oxophosphanium | 115752-21-1

• 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: [(benzhydrylamino)-phenylmethyl]-hydroxy-oxophosphanium
• 英文别名: α-(Diphenylmethylamino)benzylphosphonous acid；[[(Diphenylmethyl)amino]phenylmethyl]phosphinic acid；(Benzhydrylamino)(phenyl)methylphosphinic acid
• CAS: 115752-21-1
• 化学式: C₂₀H₂₀NO₂P
• 分子量: 337.358
• InChiKey: WKAGMVDIBPUFJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  49.33
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [(benzhydrylamino)-phenylmethyl]-hydroxy-oxophosphanium 在 4-二甲氨基吡啶 、 氢溴酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 29.0h， 生成 benzyl N-[[methoxy(oxido)phosphaniumyl]-phenylmethyl]carbamate
  参考文献：
  名称：

  双α-氨基烷基次膦酸盐的简便合成

  摘要：

  摘要 在此，我们报告了通过在回流苯中将 Cbz 保护的氨基酸甲酯的次膦酸类似物添加到适当的亚胺中获得的双-α-氨基烷基次膦酸的酯的简便合成。通过在乙酸中的 30% HBr 的作用，可以一步实现酯的完全脱保护。

  DOI：

  10.1080/00397910600767330
• 作为产物：
  描述：

  N-[bis(trimethylsilyloxy)phosphanyl-phenylmethyl]-1,1-diphenylmethanamine 在 乙醇 作用下， 生成 [(benzhydrylamino)-phenylmethyl]-hydroxy-oxophosphanium
  参考文献：
  名称：

  A New Synthetic Route to 1-Aminoalkylphosphonous Acids

  摘要：

  将双（三甲基硅基）亚磷酸加到 N-（二苯基甲基）亚胺 1 中，可得到双（三甲基硅基）1-（二苯基甲基氨基）烷基膦酸 2，用水性醇处理后，可轻松将其转化为 1-（二苯基甲基氨基）烷基膦酸 3。

  DOI：

  10.1055/s-1987-28133

文献信息

• AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN
  申请人：Roques Bernard

  公开号：US20110124601A1

  公开（公告）日：2011-05-26

  The present invention relates to a compound of the following general formula (I): R 1 —NH—CH(R 2 )—P(═O)(OR 3 )—CH 2 —C(R 4 )(R 5 )—CONH—CH(R 6 )—COOR 7 (I) or a pharmaceutically acceptable salt of the latter, an isomer or a mixture of isomers in any proportions, especially a mixture of enantiomers, and in particular a racemic mixture, for which R 1 represents a —C(═O)—O—C(R 8 )(R 9 )—OC(═O)—R 10 group; R 2 represents an optionally substituted hydrocarbon-based chain, an aryl or heteroaryl group or a methylene group substituted by a heterocycle; R 3 represents a hydrogen atom or a —C(R 12 )(R 13 )—OC(═O)—R 14 group; R 4 and R 5 form, together with the carbon that bears them, a saturated hydrocarbon-based ring or an optionally substituted piperidine ring or R 4 represents a hydrogen atom and R 5 represents a phenyl or a benzyl that is optionally substituted, a heteroaromatic ring or a methylene group substituted by a heterocycle; R 6 represents an optionally substituted hydrocarbon-based chain or a phenyl or a benzyl that is optionally substituted; and R 7 represents a hydrogen atom or a benzyl, alkyl, heteroaryl, alkylheteroaryl, —CHMe—COOR 18 , —CHR 19 —OC(═O)OR 20 and —CHR 19 —OC(═O)OR 20 group. The present invention also relates to the use of these compounds as a medicinal product, and in particular for the treatment of pain, more advantageously neuropathic and neuroinflammatory pain, to their method of synthesis and also to the compositions containing them.

  本发明涉及以下通式（I）的化合物：R1—NH—CH（R2）—P（═O）（OR3）—CH2—C（R4）（R5）—CONH—CH（R6）—COOR7或其药学上可接受的盐、异构体或任意比例的异构体混合物，特别是对映体混合物，尤其是外消旋混合物，其中R1代表—C（═O）—O—C（R8）（R9）—OC（═O）—R10基团；R2代表可选取代的碳氢链、芳基或杂环芳基基团或被杂环取代的亚甲基基团；R3代表氢原子或—C（R12）（R13）—OC（═O）—R14基团；R4和R5与承载它们的碳原子一起形成饱和碳氢基环或可选取代的哌啶环或R4代表氢原子，R5代表可选取代的苯基或苄基、杂环芳基环或被杂环取代的亚甲基基团；R6代表可选取代的碳氢链或可选取代的苯基或苄基；R7代表氢原子或苄基、烷基、杂环芳基、烷基杂环芳基、—CHMe—COOR18、—CHR19—OC（═O）OR20和—CHR19—OC（═O）OR20基团。本发明还涉及这些化合物作为药物的用途，特别是用于疼痛治疗，更有利的是神经病理性和神经炎性疼痛的治疗，以及它们的合成方法和含有它们的组合物。
• Aminophosphinic derivatives that can be used in the treatment of pain
  申请人：PHARMALEADS

  公开号：US10131681B2

  公开（公告）日：2018-11-20

  The present invention relates to a compound of the following general formula (I): R1—NH—CH(R2)—P(═O)(OR3)—CH2—C(R4)(R5)—CONH—CH(R6)—COOR7 (I) or a pharmaceutically acceptable salt of the latter, an isomer or a mixture of isomers in any proportions, especially a mixture of enantiomers, and in particular a racemic mixture, for which R1 represents a —C(═O)—O—C(R8)(R9)—OC(═O)—R10 group; R2 represents an optionally substituted hydrocarbon-based chain, an aryl or heteroaryl group or a methylene group substituted by a heterocycle; R3 represents a hydrogen atom or a —C(R12)(R13)—OC(═O)—R14 group; R4 and R5 form, together with the carbon that bears them, a saturated hydrocarbon-based ring or an optionally substituted piperidine ring or R4 represents a hydrogen atom and R5 represents a phenyl or a benzyl that is optionally substituted, a heteroaromatic ring or a methylene group substituted by a heterocycle; R6 represents an optionally substituted hydrocarbon-based chain or a phenyl or a benzyl that is optionally substituted; and R7 represents a hydrogen atom or a benzyl, alkyl, heteroaryl, alkylheteroaryl, —CHMe-COOR18, —CHR19—OC(═O)R20 and —CHR19—OC(═O)OR20 group. The present invention also relates to the use of these compounds as a medicinal product, and in particular for the treatment of pain, more advantageously neuropathic and neuroinflammatory pain, to their method of synthesis and also to the compositions containing them.

  本发明涉及以下通式(I)的化合物：R1-NH-CH(R2)-P(═O)(OR3)-CH2-C(R4)(R5)-CONH-CH(R6)-COOR7(I)或后者的药学上可接受的盐、异构体或任何比例的异构体混合物，特别是对映体混合物，尤其是外消旋混合物，其中R1代表-C(═O)-O-C(R8)(R9)-OC(═O)-R10基团；R2 代表任选取代的烃基链、芳基或杂芳基或被杂环取代的亚甲基； R3 代表氢原子或-C(R12)(R13)-OC(═O)-R14 基团；R4 和 R5 与含有它们的碳一起形成饱和烃基环或任选取代的哌啶环，或 R4 代表氢原子，R5 代表任选取代的苯基或苄基、杂芳环或被杂环取代的亚甲基；R6 代表任选取代的烃基链或任选取代的苯基或苄基；以及 R7 代表氢原子或苄基、烷基、杂芳基、烷基杂芳基、-CHMe-COR18、-CHR19-OC(═O)R20 和-CHR19-OC(═O)OR20 基团。本发明还涉及这些化合物作为医药产品的用途，特别是用于治疗疼痛，尤其是神经病理性疼痛和神经炎性疼痛，还涉及它们的合成方法以及含有它们的组合物。
• Synthesis of α1-(Cbz-aminoalkyl)-α2-(hydroxyalkyl)phosphinic esters
  作者：Marcin Drag、Józef Oleksyszyn

  DOI：10.1016/j.tetlet.2005.03.083

  日期：2005.5

  A synthesis of alpha(1)-(Cbz-aminoalkyl)-alpha(2)-(hydroxyalkyl)phosphinic esters was achieved by the 1,2-addition of the appropriate aldehyde to Cbz-protected phosphinic analogues of amino acid esters in the presence of at least three equivalents of trimethylsilyl chloride and NEt3. The complete deprotection of the product esters could be achieved in one step using 35% HBr in acetic acid. (c) 2005 Elsevier Ltd. All rights reserved.
• DE2722162
  申请人：——

  公开号：——

  公开（公告）日：——
• GROBELNY, DAMIAN, SYNTHESIS,(1987) N 10, 942-943
  作者：GROBELNY, DAMIAN

  DOI：——

  日期：——