2-(1-Methyl-2-[4-t-Butylphenyl]ethyl)amino-4,6-dimethyl-3,4,5,6-tetrahydropyrimidine | 136051-59-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(1-Methyl-2-[4-t-Butylphenyl]ethyl)amino-4,6-dimethyl-3,4,5,6-tetrahydropyrimidine
• 英文别名: N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
• CAS: 136051-59-7
• 化学式: C₁₉H₃₁N₃
• 分子量: 301.475
• InChiKey: CAKFEIDSXFAHRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  36.4
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• Tetrahydropyrimidine derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0469685A1

  公开（公告）日：1992-02-05

  The invention provides a fungicidal composition comprising a carrier and, as active ingredient, certain tetrahydropyrimidine derivatives of the general formula or an acid-addition salt or metal salt complex thereof, in which n is 0, 1, 2 or 3; R represents an optionally substituted alkyl, aryl or aralkyl group; R1 represents a hydrogen atom or an optionally substituted alkyl or aralkyl group; R2 represents an optionally substituted aryl group; p is 0 or 1; X represents a group -NR3- or -NR3-NR3- where each R3 independently represents a hydrogen atom or an optionally substituted alkyl, aryl or aralkyl group or R1 and (X)p-A-R2 together represent a group -(CR4R5)q-N(A-R2)- where q is 2 or 3 and each of R4and R5 is independently selected from a group consisting of hydrogen atoms and optionally substituted alkyl groups; and A represents a group -(CR6R7)m- where m is 0, 1, 2, 3 or 4 and each of R6 and R7 is independently selected from a group consisting of hydrogen atoms and optionally substituted alkyl groups with the provisos that (i) when p is 1, X is NH, m is 0, R1 is H and n is 0 then R2 is not a naphthyl group, a phenyl group substituted at the 4-position by a cyclohexyl, C4-12 alkyl, C6-12 alkoxy, C4-8 alkylthio, (C6-8 alkoxy)carbonyl, 4-methylphenylthio, 4-chlorophenylthio, benzyl, phenylethyl or dibutylamino group, a phenyl group substituted at the 3-position by a hexylthio group or a phenyl group substituted at the 3- and 4-position by a -(CH2)4- group; (ii) when p is 1, X is NH, m is 0, R1 is CH3 and n is 0 then R2 is not a phenyl group substituted at the 4- position by a cyclohexyl or C4-6 alkyl group; and (iii) when p is 1, X is NH, m is 0, R1 is H, n is 2 and R is 5,5-dimethyl then R2 is not a phenyl group substituted at the 4-position by a cyclohexyl group; and their use as fungicides. Certain of the tetrahydropyrimidine derivatives are novel and a process for the preparation of these compounds is also provided.

  本发明提供了一种杀菌组合物，该组合物包含一种载体和作为活性成分的通式为以下的某些四氢嘧啶衍生物 或其酸加盐或金属盐复合物，其中 n 是 0、1、2 或 3；R 代表任选取代的烷基、芳基或烷基；R1 代表氢原子或任选取代的烷基或芳基；R2 代表任选取代的芳基；p 是 0 或 1；X代表一个基团-NR3-或-NR3-NR3-，其中每个R3独立地代表一个氢原子或一个任选取代的烷基、芳基或烷基基团，或R1和(X)p-A-R2共同代表一个基团-(CR4R5)q-N(A-R2)-，其中q是2或3，R4和R5各自独立地选自由氢原子和任选取代的烷基组成的组；和 A 代表基团-(CR6R7)m- 其中 m 是 0、1、2、3 或 4，R6 和 R7 各自独立地选 自由氢原子和任选取代的烷基组成的组，但有以下条件 (i) 当 p 为 1，X 为 NH，m 为 0，R1 为 H，n 为 0 时，R2 不是萘基、在 4 位被环己基、C4-12 烷基、C6-12 烷氧基、C4-8烷硫基、（C6-8 烷氧基）羰基取代的苯基、4-甲基苯硫基、4-氯苯硫基、苄基、苯乙基或二丁基氨基、在 3 位被己硫基取代的苯基或在 3 位和 4 位被-(CH2)4-基团取代的苯基； (ii) 当 p 为 1，X 为 NH，m 为 0，R1 为 CH3，n 为 0 时，R2 不是在 4-位被环己基或 C4-6 烷基取代的苯基；以及 (iii) 当 p 为 1、X 为 NH、m 为 0、R1 为 H、n 为 2 和 R 为 5,5-二甲基时，R2 不是在 4 位被环己基取代的苯基；以及它们作为杀真菌剂的用途。某些四氢嘧啶衍生物是新颖的，还提供了制备这些化合物的工艺。
• US5332745A
  申请人：——

  公开号：US5332745A

  公开（公告）日：1994-07-26