N-cyclohexyl-N'-(1,1,3,3-tetramethyl-butyl)-urea | 101452-64-6

• 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: N-cyclohexyl-N'-(1,1,3,3-tetramethyl-butyl)-urea
• 英文别名: N-Cyclohexyl-N'-(1,1,3,3-tetramethyl-butyl)-harnstoff；N-<1,1,3,3-tetramethyl-butyl>-N'-cyclohexyl-harnstoff；1-Cyclohexyl-3-(1,1,3,3-tetramethyl-butyl)-urea；1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea
• CAS: 101452-64-6
• 化学式: C₁₅H₃₀N₂O
• mdl: MFCD07033174
• 分子量: 254.416
• InChiKey: MKFMYJMFICNOOV-UHFFFAOYSA-N

物化性质

• 熔点：
  160.5 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  393.0±9.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.933
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  乙基(2,4,4-trimethylpentan-2-yl)氨基甲酸酯 在 cadmium(II) oxide 作用下， 生成 N-cyclohexyl-N'-(1,1,3,3-tetramethyl-butyl)-urea
  参考文献：
  名称：

  t-Carbinamines, RR'R″CNH₂. III. The Preparation of Isocyanates, Isothiocyanates and Related Compounds¹

  摘要：

  DOI：

  10.1021/ja01598a043

文献信息

• INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION
  申请人：Hammock D. Bruce

  公开号：US20070117782A1

  公开（公告）日：2007-05-24

  The invention provides compounds that inhibit epoxide hydrolase in therapeutic applications for treating hypertension. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 wherein Z is oxygen or sulfur, W is carbon phosphorous or sulfur, X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R 1 -R 4 is hydrogen, R 2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R 4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R 1 and R 3 is each independently C 1 -C 20 substituted or unsubstituted alkyl, cycloalkyl, aryl, acyl, or heterocyclic.

  本发明提供了一些化合物，用于治疗高血压的治疗应用中，抑制环氧水解酶。实施本发明的优选化合物类别具有由式1所示的结构，其中Z为氧或硫，W为碳、磷或硫，X和Y各自独立地为氮、氧或硫，而X还可以是碳，R1-R4中至少有一个是氢，当X为氮时，R2为氢，但当X为硫或氧时，R2不存在，当Y为氮时，R4为氢，但当Y为硫或氧时，R4不存在，而R1和R3各自独立地为C1-C20取代或未取代的烷基、环烷基、芳基、酰基或杂环基。
• INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION
  申请人：Kroetz Deanna L.

  公开号：US20110245331A1

  公开（公告）日：2011-10-06

  The invention provides compounds that inhibit epoxide hydrolase in therapeutic applications for treating hypertension. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 wherein Z is oxygen or sulfur, W is carbon phosphorous or sulfur, X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R 1 -R 4 is hydrogen, R 2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R 4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R 1 and R 3 is each independently C 1 -C 20 substituted or unsubstituted alkyl, cycloalkyl, aryl, acyl, or heterocyclic.
• US8815951B2
  申请人：——

  公开号：US8815951B2

  公开（公告）日：2014-08-26
• t-Carbinamines, RR'R″CNH₂. III. The Preparation of Isocyanates, Isothiocyanates and Related Compounds¹
  作者：Newman Bortnick、Leo S. Luskin、Melvin D. Hurwitz、A. W. Rytina

  DOI：10.1021/ja01598a043

  日期：1956.9