N-(1-ethyl-2-hydroxyethyl)urea | 95337-64-7

• 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: N-(1-ethyl-2-hydroxyethyl)urea
• 英文别名: 1-Hydroxybutan-2-ylurea
• CAS: 95337-64-7
• 化学式: C₅H₁₂N₂O₂
• mdl: MFCD12179631
• 分子量: 132.162
• InChiKey: ANUOKWXBDGNGPE-UHFFFAOYSA-N

物化性质

• 沸点：
  251.5±32.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(1-ethyl-2-hydroxyethyl)urea 在 sodium 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 5-[1-Ethoxy-meth-(E)-ylidene]-6-hydroxy-3-(1-hydroxymethyl-propyl)-5H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Alonso, Rosario; Shaw, Gordon; Wright, David, Journal of the Chemical Society. Perkin transactions I, 1984, p. 2795 - 2799

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-1-丁醇 、 四异氰酸基硅烷 生成 N-(1-ethyl-2-hydroxyethyl)urea
  参考文献：
  名称：

  Alonso, Rosario; Shaw, Gordon; Wright, David, Journal of the Chemical Society. Perkin transactions I, 1984, p. 2795 - 2799

  摘要：

  DOI：

文献信息

• 4,5-Dihydroxyimidazolidin-2-ones in α-ureidoalkylation of N-carboxy-, N-hydroxy-, and N-aminoalkylureas 2. α-Ureidoalkylation of N-(hydroxyalkyl)ureas
  作者：A. N. Kravchenko、A. S. Sigachev、P. A. Belyakov、M. M. Ilyin、K. A. Lyssenko、V. A. Davankov、O. V. Lebedev、N. N. Makhova、V. A. Tartakovsky

  DOI：10.1007/s11172-009-0165-5

  日期：2009.6

  The α-ureidoalkylation of N-(hydroxyalkyl)ureas (ureido alcohols) with 1,3-H2- and 1,3-Me2-4,5-dihydroxyimidazolidin-2-ones was systematically studied. The yields of glycolurils decrease both in going from 1,3-H2- to 1,3-Me2-4,5-dihydroxyimidazolidin-2-one and with increasing length (or with branching) of the hydroxyalkyl chain in ureido alcohols. The optimal reaction time for ureido alcohols is 1 h. The X-ray diffraction study showed that 2-(2-hydroxy-1,1-dimethylethyl)glycoluril crystallizes as a conglomerate. The enantiomeric analysis of 2-(2-hydroxyethyl)glycoluril was carried out by chiral-phase HPLC.

  系统研究了 N-（羟基烷基）脲（脲醇）与 1,3-H2- 和 1,3-Me2-4,5- 二羟基咪唑烷-2-酮的 α-ureido 烷基化反应。从 1,3-H2- 到 1,3-Me2-4,5-二羟基咪唑烷-2-酮的过程中，以及随着脲基乙醇中羟基烷基链长度（或分支）的增加，糖醛酸的产量都会降低。X 射线衍射研究表明，2-(2-羟基-1,1-二甲基乙基)甘氨酰脲结晶为团聚体。采用手性相高效液相色谱法对 2-(2-羟乙基)甘氨酰脲进行了对映体分析。
• 4,5-Dihydroxyimidazolidin-2-ones in α-ureidoalkylation of N-carboxyalkyl-, N-hydroxyalkyl-, and N-aminoalkylureas 5. Synthesis of N-hydroxyalkyl-1,5-diphenylglycolurils
  作者：G. A. Gazieva、V. V. Baranov、A. N. Kravchenko

  DOI：10.1007/s11172-010-0236-7

  日期：2010.6

  A systematic investigation of α-ureidoalkylation of N-hydroxyalkylureas with 4,5-dihydroxy-1,3-dimethyl-4,5-diphenylimidazolidin-2-one allowed the discovery of a synthetic route to earlier unknown N-hydroxyalkyl-1,5-diphenylglycolurils. The yields of these compounds decrease with lengthening and branching of the alkyl chain in the starting ureas.

  通过对 N-羟基烷基脲与 4,5-二羟基-1,3-二甲基-4,5-二苯基咪唑烷-2-酮进行α-脲基烷基化的系统研究，发现了一条合成早先未知的 N-羟基烷基-1,5-二苯基甘氨酰脲的路线。这些化合物的产量随着起始脲中烷基链的延长和分支而降低。
• α-Thioureidoalkylation of functionally substituted ureas: II. Synthesis of thio analogs of N-hydroxyalkyl-1,5-diphenylglycolurils
  作者：G. A. Gazieva、V. V. Baranov、A. N. Kravchenko、N. N. Makhova

  DOI：10.1134/s1070428011100216

  日期：2011.10

  Reactions of N-(hydroxyalkyl)ureas with 4,5-dihydroxy-4,5-diphenylimidazolidine-2-thiones gave previously unknown 4,6-dialkyl-1-hydroxyalkyl-3a,6a-diphenyl-5-thioxooctahydroimidazo[4,5-d]imidazol-2-ones which may be regarded as thio analogs of N-(hydroxyalkyl)glycolurils.
• ALONSO, R.;SHAW, G.;WRIGHT, D., J. CHEM. SOC. PERKIN TRANS., 1984, N 12, 2795-2799
  作者：ALONSO, R.、SHAW, G.、WRIGHT, D.

  DOI：——

  日期：——
• Alonso, Rosario; Shaw, Gordon; Wright, David, Journal of the Chemical Society. Perkin transactions I, 1984, p. 2795 - 2799
  作者：Alonso, Rosario、Shaw, Gordon、Wright, David

  DOI：——

  日期：——