dl-α-methyl-4-pentafluorophenoxybenzylamine | 130339-49-0

• 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: dl-α-methyl-4-pentafluorophenoxybenzylamine
• 英文别名: 1-[4-(2,3,4,5,6-Pentafluorophenoxy)phenyl]ethanamine
• CAS: 130339-49-0
• 化学式: C₁₄H₁₀F₅NO
• 分子量: 303.232
• InChiKey: HCPZKMXPHDTJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-氯-6-乙基-5-氟嘧啶 、 dl-α-methyl-4-pentafluorophenoxybenzylamine 在 4-二甲氨基吡啶 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 6-ethyl-5-fluoro-4-(α-methyl-4-pentafluorophenoxybenzylamino)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
• 作为产物：
  描述：

  1-(4-Pentafluorophenyloxy-phenyl)-ethanone 在 乙酸铵 、 sodium cyanoborohydride 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 dl-α-methyl-4-pentafluorophenoxybenzylamine
  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

• Aralkylamine derivatives, and fungicides containing the same
  申请人：Ube Industries, Ltd.

  公开号：US05141941A1

  公开（公告）日：1992-08-25

  Disclosed are a compound of the formula (I) or an acid addition salt thereof: ##STR1## wherein Q represents R.sup.1 , R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, n and z are defined as in the specification, preparation method thereof and fungicides containing the same.

  本发明公开了化合物的化学式（I）或其酸加成盐：##STR1## 其中Q代表R1、R2、R3、R4、R5、R6，n和z的定义如说明书中所述，以及其制备方法和含有该化合物的杀菌剂。
• Aralkylamine derivatives, preparation thereof and fungicides containing the same
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0370704B1

  公开（公告）日：1995-02-01
• 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.