N-(β-hydroxyethyl) glycyl-ethyl ester hydrochloride | 75014-35-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(β-hydroxyethyl) glycyl-ethyl ester hydrochloride
• 英文别名: N-(2-hydroxyethyl)glycine ethyl ester hydrochloride；Ethyl2-[(2-hydroxyethyl)amino]acetatehydrochloride；ethyl 2-(2-hydroxyethylamino)acetate;hydrochloride
• CAS: 75014-35-6
• 化学式: C₆H₁₃NO₃*ClH
• 分子量: 183.635
• InChiKey: UEWZFMDJQBSLHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.45
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯甲酸苄酯 、 N-(β-hydroxyethyl) glycyl-ethyl ester hydrochloride 在 sodium carbonate 、 一水合肼 作用下， 生成 N-benzyloxycarbonyl, N-(β-hydroxyethyl)glycine hydrazide
  参考文献：
  名称：

  Tomatis; Salvadori; Sarto, European Journal of Medicinal Chemistry, 1981, vol. 16, # 3, p. 229 - 232

  摘要：

  DOI：

文献信息

• Synthesis of novel 6,7-dihydro-5H-pyrimido[4,5-e][1,4]diazepin-8(9H)-ones
  作者：Jinbao Xiang、Xiaowei Hu、Qun Dang、Xu Bai

  DOI：10.1002/jhet.615

  日期：2011.9

  developed for the synthesis of 6,7‐dihydro‐5H‐pyrimido[4,5‐e][1,4]diazepin‐8(9H)‐one derivatives. The key to construct the pyrimido[4,5‐e][1,4]diazepine core is the intramolecular amidation of N‐((4‐amino‐6‐chloropyrimidin‐5‐yl)methyl)‐substituted amino acid esters. This methodology was validated through the preparation of 13 representative 6,7‐dihydro‐5H‐pyrimido[4,5‐e][1,4]diazepin‐8(9H)‐ones in moderate

  一种新方法是为6,7-二氢5的合成开发ħ嘧啶并[4,5- ë ] [1,4]二氮杂-8-（9 ħ） -酮衍生物。构造嘧啶并[4,5- e ] [1,4]二氮杂core核心的关键是N -（（4-氨基-6-氯嘧啶-5-5-基）甲基）取代的氨基酸酯的分子内酰胺化作用。这种方法是通过13代表6,7-二氢5的制备验证ħ嘧啶并[4,5- ë ] [1,4]二氮杂-8-（9 ħ） -酮在中度至良好的产率。J.杂环化​​学。（2011）。
• Urinary metabolites of timolol from humans and laboratory animals. Syntheses and .beta.-adrenergic blocking activities
  作者：B. K. Wasson、J. Scheigetz、C. S. Rooney、R. A. Hall、N. N. Share、W. J. A. VandenHeuvel、B. H. Arison、O. D. Hensens、R. L. Ellsworth、D. J. Tocco

  DOI：10.1021/jm00185a006

  日期：1980.11

  Syntheses are reported for three metabolites (2-4) of timolol (1) formed by oxidative metabolism of the morpholine ring. GLC-MS comparisons are presented which establish that the two metabolites whose structures were previously in question are identical with their synthetic counterparts 2 and 3. In 2, metabolic oxidation of the 4-morpholinyl group of 1 had occurred at the carbon next to oxygen to give the 2-hydroxy-4-morpholinyl moiety, whereas in 3, the morpholine of 1 has been oxidized one step further and then ring opened to produce the N-(2-hydroxyethyl)glycine substituent. Biological testing of synthetic samples of the three major metabolites from human urine (3, 4, and 6) indicated that only 4, in which the morpholine moiety has been degraded to a 2-hydroxyethylamino group, had significant beta-adrenergic blocking activity (one-seventh that of timolol in anesthetized dogs).
• Tomatis; Salvadori; Sarto, European Journal of Medicinal Chemistry, 1981, vol. 16, # 3, p. 229 - 232
  作者：Tomatis、Salvadori、Sarto

  DOI：——

  日期：——