diethyl-4-(carbamoylbenzyl)phosphonate

• 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: diethyl-4-(carbamoylbenzyl)phosphonate
• 英文别名: Diethyl 4-carbamoylbenzylphosphonate；4-diethoxyphosphinylmethylbenzamide；4-(diethoxyphosphorylmethyl)benzamide
• 化学式: C₁₂H₁₈NO₄P
• 分子量: 271.253
• InChiKey: BRAMIXLVAPODCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl-4-(carbamoylbenzyl)phosphonate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以68 %的产率得到4-carbamoylbenzylphosphonic acid monoethyl ester
  参考文献：
  名称：

  多种取代的膦酸酯的高效微波辅助选择性碱水解

  摘要：

  已经开发了一种用于选择性碱解膦酸二酯的简单快速的微波辅助方案。在优化的条件下，我们的操作简便且原子经济的工艺允许有效地获得各种不同取代的膦酸单酯，而这些是传统方法难以获得的。

  DOI：

  10.1039/d2gc02288e
• 作为产物：
  描述：

  4-(二乙氧基膦甲基)苯甲酸 生成 diethyl-4-(carbamoylbenzyl)phosphonate
  参考文献：
  名称：

  TSUDA, YOSHIHIKO;TSUDA, YOSHIAKI

  摘要：

  DOI：

文献信息

• Ectonucleotidase inhibitors
  申请人：Rheinische Friedrich-Wilhelms-Universität Bonn

  公开号：EP1860113A1

  公开（公告）日：2007-11-28

  Present invention provides ectonucleotidase (ecto-nucleotide triphosphate diphosphohydrolase, NTPDase) inhibitors represented by the following formula, namely nucleotide mimetics as selective NTPDase inhibitors. It also provides methods for preparations of said compounds. Furthermore provided are pharmaceutical and diagnostic compositions comprising said compounds, and the use of said compounds in a medicament for treating diseases associated with ectonucleotidase activity and/or P2 receptors.

  本发明提供了以下公式所代表的细胞核苷酸酶（细胞外核苷酸三磷酸二磷酸水解酶，NTPDase）抑制剂，即作为选择性NTPDase抑制剂的核苷酸类似物。还提供了制备上述化合物的方法。此外，还提供了包含上述化合物的药用和诊断组合物，以及将上述化合物用作治疗与细胞核苷酸酶活性和/或P2受体相关的疾病的药物的用途。
• Novel 1,4-benzothiepine 1,1-dioxide derivatives substituted by benzyl radicals, method for their preparation, pharmaceuticals comprising these compounds, and the use thereof
  申请人：Frick Wendelin

  公开号：US20100035961A1

  公开（公告）日：2010-02-11

  This invention relates to Novel 1,4-benzothiepine 1,1-dioxide derivatives substituted by benzyl radicals, method for their preparation, pharmaceuticals comprising these compounds, and the use thereof.

  本发明涉及由苯甲基基团取代的新型1,4-苯硫吩1,1-二氧化物衍生物，其制备方法，包含这些化合物的药物以及它们的用途。
• Process for preparation of benzylpiperidine compounds
  申请人：Miki Shokyo

  公开号：US20060094877A1

  公开（公告）日：2006-05-04

  According to the process as shown in the following scheme having a step for reacting Compound (I) with Compound (II) to produce Compound (III), benzylpiperidine compounds useful as synthesis starting materials of pharmaceutical agents, agricultural chemicals and the like can be produced conveniently by a short step: wherein R 1 is a hydrogen atom or an amino-protecting group, R 2 is a hydrogen atom, a hydrocarbon group optionally having substituents, an alkoxy group optionally having substituents or a heterocyclic group optionally having substituents, and R 3 is a lower alkyl group.

  根据下图所示的过程，其中包含将化合物（I）与化合物（II）反应以产生化合物（III）的步骤，可以通过简短的步骤方便地生产用作制药剂、农业化学品等综合起始材料的苯甲基哌啶化合物：其中R1是氢原子或氨基保护基，R2是氢原子、烃基（可选取代基）、烷氧基（可选取代基）或杂环基（可选取代基），R3是较低的烷基基团。
• Carboxamide compounds
  申请人：Otsuka Pharmaceutical Factory, Inc.

  公开号：US04822780A1

  公开（公告）日：1989-04-18

  A carboxamide compound of the formula: ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4 and X are as defined and pharmaceutically acceptable salts thereof, and composition containing the compound are disclosed. The compound is useful as a calcium antagonistic agent and an antiinflammatory agent.

  本发明涉及一种羧酰胺化合物，其化学式为：##STR1## 其中R.sup.1，R.sup.2，R.sup.3，R.sup.4和X如定义所示，以及其药学上可接受的盐和含有该化合物的组合物。该化合物可用作钙拮抗剂和抗炎剂。
• PROCESS FOR PREPARATION OF BENZYLPIPERIDINE COMPOUNDS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1359145A1

  公开（公告）日：2003-11-05

  According to the process as shown in the following scheme having a step for reacting Compound (I) with Compound (II) to produce Compound (III), benzylpiperidine compounds useful as synthesis starting materials of pharmaceutical agents, agricultural chemicals and the like can be produced conveniently by a short step: wherein R1 is a hydrogen atom or an amino-protecting group, R2 is a hydrogen atom, a hydrocarbon group optionally having substituents, an alkoxy group optionally having substituents or a heterocyclic group optionally having substituents, and R3 is a lower alkyl group.

  根据下图所示的工艺，其中有一个步骤是使化合物 (I) 与化合物 (II) 反应生成化合物 (III)，根据该工艺，可以通过一个简短的步骤方便地生产出苄基哌啶化合物，该化合物可用作药剂、农药等的合成起始原料： 其中，R1 是氢原子或氨基保护基，R2 是氢原子、可选带取代基的烃基、可选带取代基的烷氧基或可选 带取代基的杂环基，R3 是低级烷基。