dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine | 130362-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine
• 英文别名: 5-chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzylamino)pyrimidine；5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methylpyrimidin-4-amine
• CAS: 130362-01-5
• 化学式: C₁₄H₁₄ClF₂N₃O
• 分子量: 313.734
• InChiKey: HZNUMHHKEKOCLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine 生成 1-[4-(二氟甲氧基)苯基]乙胺
  参考文献：
  名称：

  Fungicidal composition

  摘要：

  阿拉基胺衍生物，其制备方法以及含有该物质的杀菌剂。公开了一种含有由式(I)表示的化合物的杀真菌组合物：其中R¹代表卤素原子，R²和R³各代表较低的烷基基团，R⁴代表或-CHF₂，或其酸盐加合物，并且至少含有一种具有麦角固醇生物合成抑制活性或细胞分裂抑制活性的杀菌剂。

  公开号：

  EP0432894A1
• 作为产物：
  描述：

  1-[4-(二氟甲氧基)苯基]乙酮 在 4-二甲氨基吡啶 、 镍 sodium hydroxide 、 盐酸羟胺 、 氨 、 氢气 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 60.0~100.0 ℃ 、1.96 MPa 条件下， 反应 19.0h， 生成 dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine
  参考文献：
  名称：

  Synthesis of benzylaminopyrimidines and their fungicidal activities against wheat brown rust and barley powdery mildew

  摘要：

  Members of a new class of fungicide containing benzyl-aminopyrimidine as a core structure were synthesized and their fungicidal potencies against wheat brown rust, Puccinia recondita, and barley powdery mildew, Erysiphe graminis, were assessed. Among these fungicides, N-(fluoroalkoxy or fluorophenoxybenzyl)-4-pyrimidinamines showed notable preventive activities. The potency of the new pyrimidines was increased when a difluoromethoxy or tetrafluorophenoxy group was introduced at the 4- or 3-position of the phenyl moiety and a methyl or ethyl group was introduced at the benzyl position. Structure-activity relationships are discussed. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<223::aid-ps814>3.0.co;2-r

文献信息

• Quantitative structure-fungicidal activity relationships of<i>N</i>-(4-difluoromethoxybenzyl)­pyrimidin-4-amines against wheat and barley fungi
  作者：Yoshinori Yamanaka、Masaru Moritomo、Katsutoshi Fujii、Toshinobu Tanaka、Yasuhisa Fukuda、Keiichiro Nishimura

  DOI：10.1002/(sici)1096-9063(199909)55:9<896::aid-ps32>3.0.co;2-p

  日期：1999.9
• US5141941A
  申请人：——

  公开号：US5141941A

  公开（公告）日：1992-08-25
• Synthesis of benzylaminopyrimidines and their fungicidal activities against wheat brown rust and barley powdery mildew
  作者：Yoshinori Yamanaka、Masaru Moritomo、Katsutoshi Fujii、Toshinobu Tanaka、Yasuhisa Fukuda、Keiichiro Nishimura

  DOI：10.1002/(sici)1096-9063(1998110)54:3<223::aid-ps814>3.0.co;2-r

  日期：1998.11

  Members of a new class of fungicide containing benzyl-aminopyrimidine as a core structure were synthesized and their fungicidal potencies against wheat brown rust, Puccinia recondita, and barley powdery mildew, Erysiphe graminis, were assessed. Among these fungicides, N-(fluoroalkoxy or fluorophenoxybenzyl)-4-pyrimidinamines showed notable preventive activities. The potency of the new pyrimidines was increased when a difluoromethoxy or tetrafluorophenoxy group was introduced at the 4- or 3-position of the phenyl moiety and a methyl or ethyl group was introduced at the benzyl position. Structure-activity relationships are discussed. (C) 1998 Society of Chemical Industry.
• Fungicidal composition
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0432894A1

  公开（公告）日：1991-06-19

  Aralkylamine derivatives, preparation thereof and bactericides containing the same Disclosed are a fungicidal composition containing a compound represented by the formula (I): wherein R¹ represents a halogen atom and R² and R³ each represent a lower alkyl group, and R⁴ represents or -CHF₂, or an acid addition salt thereof, and at least one fungicide having ergosterol biosynthesis inhibitive activity or cytokinesis inhibitive activity.

  阿拉基胺衍生物，其制备方法以及含有该物质的杀菌剂。公开了一种含有由式(I)表示的化合物的杀真菌组合物：其中R¹代表卤素原子，R²和R³各代表较低的烷基基团，R⁴代表或-CHF₂，或其酸盐加合物，并且至少含有一种具有麦角固醇生物合成抑制活性或细胞分裂抑制活性的杀菌剂。