1-[2-(Difluoromethoxy)phenyl]propan-1-one | 929341-33-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(Difluoromethoxy)phenyl]propan-1-one
• CAS: 929341-33-3
• 化学式: C₁₀H₁₀F₂O₂
• mdl: MFCD09259620
• 分子量: 200.185
• InChiKey: GJDKFXPSSMGLKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-(Difluoromethoxy)phenyl]propan-1-one 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 (5-Chloro-6-methyl-pyrimidin-4-yl)-[1-(2-difluoromethoxy-phenyl)-propyl]-amine
  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
• 作为产物：
  描述：

  氟里昂-22 、 2'-羟基苯丙酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 1-[2-(Difluoromethoxy)phenyl]propan-1-one
  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

• US9770439B2
  申请人：——

  公开号：US9770439B2

  公开（公告）日：2017-09-26
• 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.