1-Methyl-5-trifluoromethyl-5,6-dihydrouracil | 85199-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-Methyl-5-trifluoromethyl-5,6-dihydrouracil
• 英文别名: 1-methyl-5-trifluoromethyldihydrouracil；1-Methyl-5-(trifluoromethyl)dihydropyrimidine-2,4(1H,3H)-dione；1-methyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
• CAS: 85199-74-2
• 化学式: C₆H₇F₃N₂O₂
• 分子量: 196.129
• InChiKey: QPBIFPRIQQYAIQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 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：
  49.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Methyl-5-trifluoromethyl-5,6-dihydrouracil 在 溴 作用下， 生成 1-甲基-5-(三氟甲基)嘧啶-2,4-二酮
  参考文献：
  名称：

  New and direct route to 5-trifluoromethyl-5,6-dihydrouracils by means of palladium complex catalyzed “ureidocarbonylation” of 2-bromo-3,3,3-trifluoropropene

  摘要：

  DOI：

  10.1016/s0040-4039(00)88357-4
• 作为产物：
  描述：

  2-溴-3,3,3-三氟丙烯 、 N-甲基脲 生成 1-Methyl-5-trifluoromethyl-5,6-dihydrouracil
  参考文献：
  名称：

  OSIMA, IVAO;FUTIUEH, TAKAMASA

  摘要：

  DOI：

文献信息

• Production of 5-perfluoroalkyldihydrouracil derivatives
  申请人：Sagami Chemical Research Center

  公开号：US04581452A1

  公开（公告）日：1986-04-08

  A process for preparing a 5-perfluoroalkyl-dihydrouracil derivative of the general formula ##STR1## wherein R.sub.f represents a perfluoroalkyl group, each of R.sup.1 and R.sup.2 represents a hydrogen atom, or an alkyl, cycloalkyl, aryl, aralkyl or heterocyclic group, and Y is an oxygen or sulfur atom, which comprises (a) reacting a compound of the general formula ##STR2## wherein X represents a halogen atom or hydroxyl group, with a urea derivative of the general formula ##STR3## provided that when X is a hydroxyl group and at least one of R.sup.1 and R.sup.2 is a hydrogen atom, said reaction is carried out in the presence of a condensing agent, or (b) cyclizing a compound of the general formula ##STR4## and a novel intermediate compound of the above formula (IV).

  一种制备5-全氟烷基-二氢尿嘧啶衍生物的方法，其一般式为##STR1##其中R.sub.f代表全氟烷基，R.sup.1和R.sup.2分别代表氢原子或烷基、环烷基、芳香基、芳基烷基或杂环基，Y为氧或硫原子，其包括(a)将一般式为##STR2##其中X代表卤素原子或羟基的化合物与一般式为##STR3##的脲衍生物反应，但当X为羟基且R.sup.1和R.sup.2中至少有一个为氢原子时，在缩合剂的存在下进行反应，或(b)环化一般式为##STR4##的化合物和上述式(IV)的新中间体化合物。
• Process for preparing 5-perfluoroalkyl-5,6-dihydrouracil derivatives and compounds for use therein
  申请人：SAGAMI CHEMICAL RESEARCH CENTER

  公开号：EP0103436A2

  公开（公告）日：1984-03-21

  A process for preparing a 5-perfluoroalkyldihydrouracil derivative of the general formula wherein Rf represents a perfluoroalkyl group, each of R1 and R2 represents a hydrogen atom, or an alkyl, cyloalkyl, aryl, aralkyl or heterocyclic group, and Y is an oxygen or sulfur atom, which comprises (a) reacting a compound of the general formula wherein X represents a halogen atom or a hydroxyl group, with a urea derivative of the general formula provided that when X is a hydroxyl group and at least one of R1 and R2 is a hydrogen atom, said reaction is carried out in the presence of a consensing agent, or (b) cyclizing a compound of the general formula and a novel intermediate compound of the above formula (IV).

  一种通式为 5-全氟烷基二氢尿嘧啶衍生物的制备方法 其中 Rf 代表全氟烷基，R1 和 R2 各代表氢原子或烷基、环烷基、芳基、芳烷基或杂环基，Y 是氧原子或硫原子，该工艺包括 (a) 使通式化合物与通式脲衍生物反应 其中 X 代表卤素原子或羟基，与通式的脲衍生物反应 条件是当 X 为羟基且 R1 和 R2 中至少有一个为氢原子时，上述反应在有调和剂存在的情况下进行，或 (b) 使通式化合物环化 和上式(IV)的新型中间体化合物环化。
• An Effective and Convenient Route to 5-Trifluoromethyl-5,6-dihydrouracils and their Thio Derivatives
  作者：Takamasa Fuchikami、Akiko Yamanouchi、Iwao Ojima

  DOI：10.1055/s-1984-30964

  日期：——
• FUCHIKAMI, TAKAMASA;OJIMA, IWAO, TETRAHEDRON LETT., 1982, 23, N 40, 4099-4100
  作者：FUCHIKAMI, TAKAMASA、OJIMA, IWAO

  DOI：——

  日期：——
• OJIMA, IWAO;FUCHIKAMI, TAKAMASA;FUJITA, MAKOTO
  作者：OJIMA, IWAO、FUCHIKAMI, TAKAMASA、FUJITA, MAKOTO

  DOI：——

  日期：——