1-Ethyl-3-[4-(ethylcarbamoylamino)butyl]urea | 1598438-07-3

• 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: 1-Ethyl-3-[4-(ethylcarbamoylamino)butyl]urea
• CAS: 1598438-07-3
• 化学式: C₁₀H₂₂N₄O₂
• 分子量: 230.31
• InChiKey: RPUDDMWGWDXDLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Ethyl-3-[4-(ethylcarbamoylamino)butyl]urea 在 溴 、 三乙胺 、 三苯基膦 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 0.25h， 生成 tetraaluminum;carbanide;ethyl-[N-[4-(1-ethylazanidylethylideneamino)butyl]-C-methylcarbonimidoyl]azanide
  参考文献：
  名称：

  Syntheses and Structures of Bis-Amidinate–Alane Complexes

  摘要：

  Insertion reactions of alpha,omega-bis-carbodiimides (RNCN)(2)X (1-5: R = Et, t-Bu, Ph; X = C3H6, C4H8) with 2 equiv of AlMe3 yielded the dinuclear tethered bis-amidinate-alane complexes [RNC(Me)NAlMe2](2)X (R = Et, X = C4H8 (6); R = t-Bu, X = C3H6 (7), C4H8 (8)). Analogous reactions with 4 equiv of AlMe3 resulted in the coordination of two additional AlMe3 molecules, yielding the tetranuclear bis-amidinate complexes [EtN(AlMe3)C(Me)NAlMe2](2)X (X = C3H6 (9), C4H8 (10)) and [t-BuNC(Me)N(AlMe3)AlMe2](2)X (X = C3H6 (11), C4H8 (12)). In addition, equimolar reactions between (RNCN)(2)X (R = Et, X = C3H6, C4H8; R = Ph, X = C4H8) and 2 equiv of AlMe3 at elevated temperatures occurred with intramolecular cyclization and formation of [EtNC(Me)NC3H6N(AlMe3)CNEt]AlMe2 (13) and [RNC(Me)NC4H8N(AlMe3)CNR]AlMe2 (R = Et (14), Ph (15)). Hydrolysis of 11 gave the protonated free ligand PhNC(Me)NC4H8N(H)CNPh (16) in high yield. 6-6 were characterized by elemental analyses, multinuclear NMR (H-1, C-13) and IR spectroscopy, and single-crystal X-ray diffraction (7, 10-14, 16).

  DOI：

  10.1021/om5002217
• 作为产物：
  描述：

  四亚甲基二胺 、 异氰酸乙酯 反应 2.0h， 以91.3%的产率得到1-Ethyl-3-[4-(ethylcarbamoylamino)butyl]urea
  参考文献：
  名称：

  Syntheses and Structures of Bis-Amidinate–Alane Complexes

  摘要：

  Insertion reactions of alpha,omega-bis-carbodiimides (RNCN)(2)X (1-5: R = Et, t-Bu, Ph; X = C3H6, C4H8) with 2 equiv of AlMe3 yielded the dinuclear tethered bis-amidinate-alane complexes [RNC(Me)NAlMe2](2)X (R = Et, X = C4H8 (6); R = t-Bu, X = C3H6 (7), C4H8 (8)). Analogous reactions with 4 equiv of AlMe3 resulted in the coordination of two additional AlMe3 molecules, yielding the tetranuclear bis-amidinate complexes [EtN(AlMe3)C(Me)NAlMe2](2)X (X = C3H6 (9), C4H8 (10)) and [t-BuNC(Me)N(AlMe3)AlMe2](2)X (X = C3H6 (11), C4H8 (12)). In addition, equimolar reactions between (RNCN)(2)X (R = Et, X = C3H6, C4H8; R = Ph, X = C4H8) and 2 equiv of AlMe3 at elevated temperatures occurred with intramolecular cyclization and formation of [EtNC(Me)NC3H6N(AlMe3)CNEt]AlMe2 (13) and [RNC(Me)NC4H8N(AlMe3)CNR]AlMe2 (R = Et (14), Ph (15)). Hydrolysis of 11 gave the protonated free ligand PhNC(Me)NC4H8N(H)CNPh (16) in high yield. 6-6 were characterized by elemental analyses, multinuclear NMR (H-1, C-13) and IR spectroscopy, and single-crystal X-ray diffraction (7, 10-14, 16).

  DOI：

  10.1021/om5002217

文献信息

• Disubstituted Cucurbituril-Bonded Silica Gel
  申请人：Kim Kimoon

  公开号：US20080093301A1

  公开（公告）日：2008-04-24

  A disubstituted cucurbituril-bonded silica gel and its use are provided. The disubstituted cucurbituril-bonded silica gel is useful for removal of air pollutants or water contaminants, and separation and purification of biological, organic, inorganic, or ionic substances.
• Syntheses and Structures of Bis-Amidinate–Alane Complexes
  作者：Melike Bayram、Dieter Bläser、Christoph Wölper、Stephan Schulz

  DOI：10.1021/om5002217

  日期：2014.4.28

  Insertion reactions of alpha,omega-bis-carbodiimides (RNCN)(2)X (1-5: R = Et, t-Bu, Ph; X = C3H6, C4H8) with 2 equiv of AlMe3 yielded the dinuclear tethered bis-amidinate-alane complexes [RNC(Me)NAlMe2](2)X (R = Et, X = C4H8 (6); R = t-Bu, X = C3H6 (7), C4H8 (8)). Analogous reactions with 4 equiv of AlMe3 resulted in the coordination of two additional AlMe3 molecules, yielding the tetranuclear bis-amidinate complexes [EtN(AlMe3)C(Me)NAlMe2](2)X (X = C3H6 (9), C4H8 (10)) and [t-BuNC(Me)N(AlMe3)AlMe2](2)X (X = C3H6 (11), C4H8 (12)). In addition, equimolar reactions between (RNCN)(2)X (R = Et, X = C3H6, C4H8; R = Ph, X = C4H8) and 2 equiv of AlMe3 at elevated temperatures occurred with intramolecular cyclization and formation of [EtNC(Me)NC3H6N(AlMe3)CNEt]AlMe2 (13) and [RNC(Me)NC4H8N(AlMe3)CNR]AlMe2 (R = Et (14), Ph (15)). Hydrolysis of 11 gave the protonated free ligand PhNC(Me)NC4H8N(H)CNPh (16) in high yield. 6-6 were characterized by elemental analyses, multinuclear NMR (H-1, C-13) and IR spectroscopy, and single-crystal X-ray diffraction (7, 10-14, 16).