dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)-pyrimidine | 115617-88-4

• 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-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)-pyrimidine
• 英文别名: 5-chloro-6-ethyl-N-(α-[RS]ethyl-4-hydroxybenzyl)pyrimidin-4-amine；dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino) pyrimidine；dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzyl)aminopyrimidine；dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)pyrimidine；4-[1-[(5-Chloro-6-ethylpyrimidin-4-yl)amino]propyl]phenol
• CAS: 115617-88-4
• 化学式: C₁₅H₁₈ClN₃O
• 分子量: 291.78
• InChiKey: IFOPVKRPCZZLCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  458.5±45.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)-pyrimidine 在 氢氧化钾 、 二甲基亚砜 作用下， 以 六氟苯 为溶剂， 生成 dl-5-Chloro-6-ethyl-4-(α-ethyl-4-pentafluorophenoxybenzyl-amino)pyrimidine
  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：

  4-羟基苯丙酮 在 4-二甲氨基吡啶 、 palladium on activated charcoal 盐酸羟胺 、 氢气 、 potassium acetate 、 三乙胺 作用下， 以 盐酸 、 乙醇 、 水 为溶剂， 50.0 ℃ 、2.94 MPa 条件下， 反应 19.0h， 生成 dl-5-chloro-6-ethyl-4-(α-ethyl-4-hydroxybenzylamino)-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

• Aralkylaminopyrimidine compounds which are useful as for producing
  申请人：Ube Industries, Ltd.

  公开号：US04895849A1

  公开（公告）日：1990-01-23

  There are disclosed a compound represented by the formula: ##STR1## wherein R.sub.1 represents a hydrogen atom or a lower alkyl group; R.sub.2 and R.sub.3 each independently represent a halogen atom or a lower alkyl group; R.sub.4 represents a hydrogen atom, a halogen atom or a lower alkyl group; n represents an integer of 1 or 2; Q represents a phenyl group or a heterocyclic group; a substituted or unsubstituted alkyl group; an allyl group; a geranyl group; a farnesyl group; a cycloalkylmethyl group; a substituted ethyl group; a glycidyl group; an acetonyl group; a substituted dioxoranyl group; a 2,2-diethoxyethyl group, a 1-ethoxycarbonylethyl group, a trimethylsilylmethyl group or a 1-pyridylethyl group; A represents a lower alkylene group; and B represents a direct bond, an oxygen atom, a sulfur atom, a straight or branched lower alkylene group or a lower alkyleneoxy group; or an acid addition salt thereof, a process for producing the same, and an insecticide, an acaricide and a fungicide containing the derivative as the active ingredient.

  揭示了一种化合物，其表示为以下式：##STR1##其中R.sub.1代表氢原子或较低的烷基基团；R.sub.2和R.sub.3分别独立地代表卤原子或较低的烷基基团；R.sub.4代表氢原子、卤原子或较低的烷基基团；n代表1或2的整数；Q代表苯基或杂环基团；一个取代或未取代的烷基基团；一个烯丙基基团；一个蒎基团；一个法尼基团；一个环烷基甲基基团；一个取代的乙基基团；一个环氧乙基基团；一个丙酮基团；一个取代的二氧杂环戊基团；一个2,2-二乙氧基乙基基团，一个1-乙氧羰基乙基基团，一个三甲基硅基甲基基团或一个1-吡啶基乙基基团；A代表较低的烷基烯基团；B代表直接键，氧原子，硫原子，直链或支链较低的烷基烯基团或较低的烷基氧基团；或其酸盐，制备该化合物的方法，以及含有该衍生物作为活性成分的杀虫剂，杀螨剂和杀菌剂。
• Aralkylamine derivatives, preparation method thereof and fungicides containing the same
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0424125A3

  公开（公告）日：1991-10-09

  Disclosed is an aralkylamine derivative represented by the following formula (I) and acid addition salt thereof: wherein R₁, R₂, R₃, R₄, R₅, R₆ and n are as described in the description), and preparation method thereof.

  披露了一种由以下公式（I）表示的芳基胺衍生物及其酸盐加合物：其中R₁、R₂、R₃、R₄、R₅、R₆和n如描述中所述），以及其制备方法。
• 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。
• Aralkylaminopyrimidine derivative, process for producing thereof and insecticide, acaricide and fungicide containing said derivative as active ingredient
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0264217A2

  公开（公告）日：1988-04-20

  There are disclosed a compound represented by the formula: wherein R1 represents a hydrogen atom or a lower alkyl group; R2 and R3 each independently represent a halogen atom or a lower alkyl group; R4 represents a hydrogen atom, a halogen atom or a lower alkyl group; n represents an integer of 1 or 2; Q represents a phenyl group or a heterocyclic group; a substituted or unsubstituted alkyl group; an allyl group; a geranyl group; a farnesyl group; a cycloalkylmethyl group; a substituted ethyl group; a glycidyl group; an acetonyl group; a substituted dioxoranyl group; a 2,2-diethoxyethyl group, a 1-ethoxycarbonylethyl group, a trimethylsilylmethyl gorup or a 1-pyridylethyl group; A represents a lower alkylene group; and B represents a direct bond, an oxygen atom, a sulfur atom, a straight or branched lower alkylene group or a lower alkyleneoxy group; or an acid addition salt thereof, a process for producing the same, and an insecticide, an acaricide and a fungicide containing the derivative as the active ingredient.

  公开了一种由式表示的化合物： 其中 R1 代表氢原子或低级烷基；R2 和 R3 各自独立地代表卤素原子或低级烷基；R4 代表氢原子、卤素原子或低级烷基；n 代表 1 或 2 的整数；Q 代表苯基或杂环基；取代或未取代的烷基；烯丙基；香叶基；法呢基；环烷基甲基；取代的乙基；缩水甘油基；丙酮基；2,2-二乙氧基乙基、1-乙氧基羰基乙基、三甲基硅烷基乙基或 1-吡啶乙基； A 代表低级亚烷基；B 代表直接键、氧原子、硫原子、直链或支链低级亚烷基或低级亚烷氧基；或其酸加成盐、生产方法，以及含有该衍生物作为活性成分的杀虫剂、杀螨剂和杀真菌剂。
• 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