diethyl ((N-ethylcarbamoyl)methyl)-phosphonate | 3699-75-0

• 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: diethyl ((N-ethylcarbamoyl)methyl)-phosphonate
• 英文别名: diethyl <2-(ethylamino)-2-oxoethyl>phosphonate；diethyl <(ethylcarbamoyl)methyl>phosphonate；Diethyl<(ethylcarbamoyl)methyl>phosphonate；diethyl monoethylaminocarbonylmethylphosphonate；diethyl (2-(ethylamino)-2-oxoethyl)phosphonate；diethyl ((N-ethylcarbamoyl)methyl) phosphonate；Diethyl [2-(ethylamino)-2-oxoethyl]phosphonate；2-diethoxyphosphoryl-N-ethylacetamide
• CAS: 3699-75-0
• 化学式: C₈H₁₈NO₄P
• 分子量: 223.209
• InChiKey: ANIONOQWENWYIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  diethyl ((N-ethylcarbamoyl)methyl)-phosphonate 在 溴 、 三乙胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 生成 N,N-Diethyl-N'-ethyl-α-(diethylphosphono)acetamidine
  参考文献：
  名称：

  c-Phosphonoketenimines, characterization and synthetic application to heterocycles

  摘要：

  DOI：

  10.1021/jo01314a041
• 作为产物：
  描述：

  2-氯-N-乙基乙酰胺 以 亚磷酸三乙酯 为溶剂， 以25.06 g (88%)的产率得到diethyl ((N-ethylcarbamoyl)methyl)-phosphonate
  参考文献：
  名称：

  Amide derivatives and their therapeutic use

  摘要：

  新型碳环酰胺及其盐、溶剂合物和生理活性衍生物在医学上有多种用途，特别是作为中枢肌肉松弛剂，用于治疗或预防焦虑、炎症、关节炎和疼痛。

  公开号：

  US05719186A1

文献信息

• Cyclic analogues of insect juvenile hormone
  作者：Karel Hejno、František Šorm

  DOI：10.1135/cccc19801734

  日期：——

  The preparation and the juvenilization effect of some derivatives of 3,7-dimethyl-9-(5-methyl-2-oxolanyl)-2,6-nonadenoic, 3,7-dimethyl-9-(5-methyl-2-oxolanyl)-2-nonenoic (methyl, ethyl and isopropyl ester, monomethyl and dimethylamide) and 3,7-dimethyl-9-(-methyl-2-oxolanyl)-2,4-nonadenoic acid (methyl, ethyl and isopropyl ester) have been described.

  已经描述了3,7-二甲基-9-(5-甲基-2-氧杂环戊基)-2,6-壬二酸、3,7-二甲基-9-(5-甲基-2-氧杂环戊基)-2-壬烯酸(甲基、乙基和异丙酯,单甲基和二甲基酰胺)以及3,7-二甲基-9-(-甲基-2-氧杂环戊基)-2,4-壬二酸(甲基、乙基和异丙酯)的制备和一些衍生物的幼态化效应。

• Bicyclic amide derivatives and their use as muscle relaxants
  申请人：Glaxo Wellcome Inc.

  公开号：US05872118A1

  公开（公告）日：1999-02-16

  Novel compounds of formula (I) ##STR1## wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are each selected from hydrogen and fluoro and at least one and not more than two is fluoro; R.sup.5 is selected from hydrogen and C.sub.1 -C.sub.4 alkyl; R.sup.6 is selected from hydrogen, C.sub.1 -C.sub.4 ally and hydroxy; or R.sup.5 and R.sup.6 together with the ring carbon form a carbonyl group; R.sup.7 is selected from hydrogen and hydroxy, R.sup.8 and R.sup.9 are each selected from hydrogen, C.sub.1 -C.sub.4 alkyl and cyclo(C.sub.3 or C.sub.4) alkyl or together with the nitrogen form a morpholino group; and X is selected from a bond, methylene and --O-- and is always a bond or --O-- when any of R.sup.5, R.sup.6 and R.sup.7 is other than hydrogen and is always a bond when R.sup.5 and R.sup.6 together with the ring carbon form a carbonyl group; and their salts and solvates have a number of uses as central muscle relaxants. In particular, treatment of conditions associated with abnormally raised skeletal muscle tone. They are of special value in the relaxation of skeletal muscle in spastic, hypertonic and hyperkinetic conditions.

  化合物的结构式(I)如下： 其中R.sup.1、R.sup.2、R.sup.3和R.sup.4分别选择自氢和氟，至少一个且不超过两个为氟；R.sup.5选择自氢和C.sub.1 -C.sub.4烷基；R.sup.6选择自氢、C.sub.1 -C.sub.4烯丙基和羟基；或者R.sup.5和R.sup.6与环碳共同形成羰基团；R.sup.7选择自氢和羟基，R.sup.8和R.sup.9分别选择自氢、C.sub.1 -C.sub.4烷基和环(C.sub.3或C.sub.4)烷基，或者与氮一起形成吗啡环；X选择自键、亚甲基和--O--，当R.sup.5、R.sup.6和R.sup.7中任何一个不是氢时，始终为键或--O--，当R.sup.5和R.sup.6与环碳共同形成羰基团时，始终为键；它们的盐和溶剂合物在中枢肌肉松弛剂方面有多种用途。具体来说，用于治疗与异常增加的骨骼肌张力相关的症状。它们在解除痉挛、肌肉过度紧张和过度运动症状方面具有特殊价值。
• An efficient synthesis of 6-formyl-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid and some carbonyl derivatives of it and its 6-acetyl homologue
  作者：Joseph P. Sanchez、Thomas F. Mich、Gin G. Huang

  DOI：10.1002/jhet.5570310207

  日期：1994.3

  a highly efficient, 4-step synthesis. This compound, along with its one carbon homologue, 6-acetyl-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid (5b) has been reacted with several carbonyl derivative forming reagents to provide a series of side chains for β-lactams. Among these carbonyl derivatives are styrylamides which were prepared from Wittig and Horner-Emmons reagents. The preparation of the phosphonium

  以1,1-二甲氧基-2-丙酮（1）为起始原料，通过高效的4步步骤大量制备了6-甲酰基-1,2-二氢-2-氧代-3-吡啶羧酸（5a）合成。该化合物及其一个碳同系物6-乙酰基-1,2-二氢-2-氧代-3-吡啶羧酸（5b）已与几种羰基衍生物形成试剂反应以提供一系列β-侧链内酰胺。在这些羰基衍生物中有由Wittig和Horner-Emmons试剂制备的苯乙烯基酰胺。还描述了salts盐和膦酸酯的制备。
• Synthesis of some 5-oxa analogues of acyclic juvenoids
  作者：V. Jarolím、F. Šorm

  DOI：10.1135/cccc19740587

  日期：——
• Kashemirov, B. A.; Khokhlov, P. S.; Strepikheev, Yu. A., Journal of general chemistry of the USSR, 1982, vol. 52, # 2, p. 386
  作者：Kashemirov, B. A.、Khokhlov, P. S.、Strepikheev, Yu. A.

  DOI：——

  日期：——