2,6-diaza-4-oxa-heptanedioic acid bis-ethylamide | 57187-19-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 2,6-diaza-4-oxa-heptanedioic acid bis-ethylamide
• 英文别名: 2,6-Diaza-4-oxa-heptandisaeure-bis-aethylamid；Bis-[(N'-aethyl-ureido)-methyl]-aether；Bis-(3-ethyl-ureidomethyl)-ether；N-Ethyl-7-oxo-4-oxa-2,6,8-triazadecanamide；1-ethyl-3-[(ethylcarbamoylamino)methoxymethyl]urea
• CAS: 57187-19-6
• 化学式: C₈H₁₈N₄O₃
• 分子量: 218.256
• InChiKey: UYAVFDBKQVGCMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  91.49
• 氢给体数：
  4.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-diaza-4-oxa-heptanedioic acid bis-ethylamide 、 2,4-二甲基苯酚 在 甲酸 作用下， 生成 N-ethyl-N'-(2-hydroxy-3,5-dimethyl-benzyl)-urea
  参考文献：
  名称：

  Studien auf dem Gebiet der Harnstoff-Formaldehyd-Kondensation

  摘要：

  DOI：

  10.1007/bf00905122
• 作为产物：
  描述：

  聚合甲醛 、 Cytochrome鎐frompigeonbreastmuscle 在 sodium hydroxide 、 水 作用下， 生成 2,6-diaza-4-oxa-heptanedioic acid bis-ethylamide
  参考文献：
  名称：

  Solution- and Soluble-Polymer Supported Asymmetric Syntheses of Six-Membered Ring Prostanoids

  摘要：

  An asymmetric synthesis of prostanoids containing a six-membered ring core structure (11a-homoprostaglandins), both in solution and using non-cross-linked polystyrene (NCPS) as a soluble support, was developed. Target molecule 1 was generated in a convergent fashion using a three-component coupling strategy, wherein chiral enone (R)-2 was the precursor of the central ring and the cuprate 3 and triflate 4 were used to introduce the side chains. The chiral center of (R)-2 directed the facial selectivity of the conjugate addition reaction which then dictated the stereochemical outcome of the subsequent alpha alkylation. Attachment of a six-membered ring scaffold to NCPS facilitated purification without compromising synthetic yields, still allowed H-1-NMR analysis of the intermediates in the synthesis, and provided an avenue for the construction of six-membered ring prostanoid libraries.

  DOI：

  10.1002/1521-3765(20000602)6:11<1917::aid-chem1917>3.0.co;2-7