1,3-Dimethyl-5-hydroxy-5-(trifluormethyl)-imidazolidin-2,4-dion | 105480-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1,3-Dimethyl-5-hydroxy-5-(trifluormethyl)-imidazolidin-2,4-dion
• 英文别名: 5-hydroxy-1,3-dimethyl-5-trifluoromethylimidazolidine-2,4-dione；5-Hydroxy-1,3-di-methyl-5-trifluoromethylimidazolidine-2,4-dione；5-hydroxy-1,3-dimethyl-5-(trifluoromethyl)imidazolidine-2,4-dione
• CAS: 105480-46-4
• 化学式: C₆H₇F₃N₂O₃
• 分子量: 212.128
• InChiKey: SJVZUPLGEZMZBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N'-二甲基仲班酸 在 盐酸 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 1,3-Dimethyl-5-hydroxy-5-(trifluormethyl)-imidazolidin-2,4-dion
  参考文献：
  名称：

  5 - [(卤) 氟烷基] -5-羟基咪唑烷-2,4-二酮来自 2,4,5-咪唑烷三酮

  摘要：

  (卤) 氟烷基三甲基硅烷 2 在四丁基氟化铵 (TBAF) 存在下很容易与咪唑烷三酮 1 反应，得到 5-[(卤) 氟烷基]-5-羟基咪唑烷-2,4-二酮 4。

  DOI：

  10.1002/ardp.19903231110

文献信息

• Mustafa, Mohamed El-Said; Takaoka, Akio; Ishikawa, Nobuo, Bulletin de la Societe Chimique de France, 1986, # 6, p. 944 - 954
  作者：Mustafa, Mohamed El-Said、Takaoka, Akio、Ishikawa, Nobuo

  DOI：——

  日期：——
• Synthesis of Fluorine-Containing Imidazolidin-2-Ones, Glycolurils, and Hydantoins Based on Perfluorodiacetyl and Ureas*
  作者：L. V. Saloutina、A. Ya. Zapevalov、P. A. Slepukhin、M. I. Kodess、V. I. Saloutin、O. N. Chupakhin

  DOI：10.1007/s10593-014-1550-z

  日期：2014.10

  The reactions of perfluorodiacetyl with urea, N,N'-dimethyl- and N,N'-diethylureas produced the cis and trans isomers of 4,5-dihydroxy-4,5-bis(trifluoromethyl)imidazolidin-2-ones in 60-90% yields. The reaction of 4,5-dihydroxy-4,5-bis(trifluoromethyl)imidazolidin-2-one with urea gave 1,5-bis-(trifluoro-methyl)-2,4,6,8-tetraazobicyclo[3.3.0]octane-3,7-dione in 88% yield. The analogous reaction of 1,3-di-methyl- and 1,3-diethylimidazolidin-2-ones with urea, N,N'-dimethyl- and N,N'-diethylureas led to the formation of 5-hydroxy-1,3-dimethyl(diethyl)-5-trifluoromethylimidazolidine-2,4-diones (hydantoins) in 60-87% yields. The molecular structures of cis-4,5-dihydroxy-4,5-bis(trifluoromethyl)imidazolidin-2-one, trans-4,5-dihydroxy-1,3-dimethyl-4,5-bis(trifluoromethyl)imidazolidin-2-one, and 5-hydroxy-1,3-di-methyl-5-trifluoromethylimidazolidine-2,4-dione were studied by X-ray structural analysis.
• Trifluoropyruvic acid hydrate in heterocyclic synthesis: a facile synthesis of 5-hydroxy-5-trifluoromethylhydantoin derivatives
  作者：M. El-said Mustafa、Akio Takaoka、Nobuo Ishikawa

  DOI：10.1016/s0022-1139(00)85100-3

  日期：1986.1
• MUSTAFA, M. EL-SAID;TAKAOKA, AKIO;ISHIKAWA, NOBUO, J. FLUOR. CHEM., 1986, 30, N 4, 463-468
  作者：MUSTAFA, M. EL-SAID、TAKAOKA, AKIO、ISHIKAWA, NOBUO

  DOI：——

  日期：——
• MUSTAFA MOHAMED EL-SAID; TAKAOKA AKIO; ISHIKAWA NOBUO, BULL. SOC. CHIM. FR.,(1986) N 6, 944-954
  作者：MUSTAFA MOHAMED EL-SAID、 TAKAOKA AKIO、 ISHIKAWA NOBUO

  DOI：——

  日期：——