3-(5-Methoxybenzo[b]furan-3-yl)-1-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione | 261613-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-(5-Methoxybenzo[b]furan-3-yl)-1-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• 英文别名: 3-(5-Methoxy-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
• CAS: 261613-97-2
• 化学式: C₁₅H₁₁F₃N₂O₄
• 分子量: 340.259
• InChiKey: SIFLMBNACGKJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Condensed heterocylic compounds and herbicides containing them as active ingredients
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20030216258A1

  公开（公告）日：2003-11-20

  Condensed heterocyclic compounds of the general formula: 1 wherein T is carbon or nitrogen; when T is carbon, then the bond between T and A is a double bond, the bond between A and Y is a single bond, and Y is oxygen, sulfur, or optionally substituted NH; or when T is nitrogen, then the bond between T and A is a single bond, the bond between A and Y is a double bond, and Y is nitrogen or optionally substituted CH; A is nitrogen or optionally substituted CH; R 1 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, or cyano; R 2 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, cyano, or the like; R 3 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, cyano, or the like; R 4 is hydrogen, halogen, alkyl, haloalkyl, hydroxymethyl, nitro, or cyano, and Q is a saturated or unsaturated 5- or 6-membered heterocyclic ring containing one to four nitrogen atoms, or a saturated or unsaturated cyclopentylideneamino group containing one or two nitrogen heteroatoms and one oxygen or sulfur heteroatom.

  通式如下的缩合杂环化合物 1 其中 T 为碳或氮；当 T 为碳时，则 T 与 A 之间的键为双键，A 与 Y 之间的键为单键，且 Y 为氧、硫或任选取代的 NH；或当 T 为氮时，则 T 与 A 之间的键为单键，A 与 Y 之间的键为双键，且 Y 为氮或任选取代的 CH；A 为氮或任选取代的 CH；R 1 是氢、卤素、烷基、卤代烷基、羟甲基、硝基或氰基；R 2 是氢、卤素、烷基、卤代烷基、羟甲基、硝基、氰基或类似物；R 3 是氢、卤素、烷基、卤代烷基、羟甲基、硝基、氰基或类似物；R 4 是氢、卤素、烷基、卤代烷基、羟甲基、硝基或氰基，以及 Q 是含有 1 至 4 个氮原子的饱和或不饱和 5 或 6 元杂环，或含有 1 或 2 个氮杂原子和 1 个氧或硫杂原子的饱和或不饱和环戊亚胺基团。
• US6586368B1
  申请人：——

  公开号：US6586368B1

  公开（公告）日：2003-07-01