4,5-二氯-6-乙基嘧啶 | 115617-41-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,5-二氯-6-乙基嘧啶
• 英文名称: 4,5-Dichloro-6-ethylpyrimidine
• CAS: 115617-41-9
• 化学式: C₆H₆Cl₂N₂
• mdl: MFCD11111140
• 分子量: 177.033
• InChiKey: RPVZESOQOOPTGU-UHFFFAOYSA-N

物化性质

• 沸点：
  246 °C
• 密度：
  1.335
• 闪点：
  126 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4,5-二氯-6-乙基嘧啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 {2-[2-(Acetyl-methyl-amino)-ethoxy]-ethyl}-methyl-carbamic acid 4-{1-[(5-chloro-6-ethyl-pyrimidin-4-yl)-methyl-amino]-ethyl}-phenyl ester
  参考文献：
  名称：

  4-Aminopyrimidines as novel HIV-1 inhibitors

  摘要：

  A series of 4-aminopyrimidines (1) was identified as novel HIV inhibitors of unknown molecular target. Structural modifications were carried out to establish its SAR and identify the linking site for target identification. A number of analogs were found to possess single digit inhibitory activity for HIV replication. Several analogs with various potential linkers, including a biotinated analog, also exhibited excellent potency, and could serve as tools for the identification of novel anti-HTV targets. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.047
• 作为产物：
  描述：

  2-氯-3-氧代戊酸乙酯 在 sodium methylate 、 三乙胺 、 三氯氧磷 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 15.5h， 生成 4,5-二氯-6-乙基嘧啶
  参考文献：
  名称：

  新型含联苯醚的嘧啶胺衍生物的设计，合成，杀虫和杀螨活性

  摘要：

  设计并合成了一系列含有联苯醚部分的原始嘧啶胺衍生物。通过1 H NMR，MS和元素分析确认了它们的结构。测试了它们对鳞翅目和半翅目昆虫的杀虫活性和杀螨活性。生物测定的结果表明，9K显示最佳活性（LC 50  = 2.08毫克/升）抗二斑叶螨，这是与阳性对照，螺虫乙酯（LC可比50 = 2.27毫克/升），和9克显示出更好的活性（LC相对于阳性对照吡虫啉（LC 50）对抗蚜虫的50 = 0.52 mg / L） 浓度为（1.02 mg / L），并且 抗荨麻疹的相对活性较高（LC 50 = 2.49 mg / L）。它们的结构活性关系表明，嘧啶环4位上的乙基和作为苯环对位取代基的烷基链均显示出良好的生物活性。

  DOI：

  10.1002/jhet.3710

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。
• Substituted cycloalkylamino and cycloalkoxy heterocycles, processes for
  申请人：Hoechst-Schering AgrEvo GmbH

  公开号：US05889012A1

  公开（公告）日：1999-03-30

  Substituted cycloalkylamino and cycloalkoxy heterocycles, processes for preparing them and their use as pesticides The invention relates to (I) ##STR1## in which R.sup.1 to R.sup.5, A, X, E, U, p and n are as defined in claim 1, to processes for their preparation and their use as pesticides, such as insecticides, acaricides and fungicides.

  取代的环烷胺和环烷氧杂环化合物，其制备方法及其用作杀虫剂。该发明涉及（I）##STR1##其中R.sup.1至R.sup.5，A，X，E，U，p和n的定义如权利要求书中所述，以及它们的制备方法和用途，例如杀虫剂、杀螨剂和杀菌剂。
• Substituted spiroalkylamino and alkoxy heterocycles, processes for their
  申请人：Hoechst Schering AgrEvo GmbH

  公开号：US05859009A1

  公开（公告）日：1999-01-12

  Substituted spiroalkylamino and -alkoxy heterocycles, processes for their preparation, and their use as pesticides and fungicides The invention relates to compounds of the formula ##STR1## in which Het is optionally substituted 4-pyridyl or 4-pyrimidinyl; X is NH, O or S(O).sub.0-2 ; E is a bond or alkanediyl; Y and Z are CH.sub.2, O and/or S(O).sub.0-2 ; W is (CH.sub.2).sub.0-4 ; R.sup.4 and R.sup.5 are halogen, (halo)alkyl, (halo)alkoxy or alkylthio; r and s are 0-2; U is a bond, O, S(O).sub.0-2 or optionally substituted imino; and V is a bond CO, SO.sub.2, --CQ--T-- or --CT'.dbd.N--; or U+V together are a double bond; and R.sup.6 is as defined in the description. The invention furthermore relates to processes for their preparation and to their use as pesticides and fungicides.

  取代的螺环烷基胺和-烷氧杂环化合物，其制备方法以及它们作为杀虫剂和杀菌剂的用途。该发明涉及以下结构的化合物：在其中，Het是可选择取代的4-吡啶基或4-嘧啶基；X是NH、O或S(O)0-2；E是键或烷二基；Y和Z是CH2、O和/或S(O)0-2；W是(CH2)0-4；R4和R5是卤素、(卤代)烷基、(卤代)烷氧基或烷基硫基；r和s是0-2；U是键、O、S(O)0-2或可选择取代的亚胺基；V是键CO、SO2、-CQ-T-或-CT'.dbd.N-；或U+V一起是双键；R6如描述中所定义。此外，该发明还涉及它们的制备方法以及它们作为杀虫剂和杀菌剂的用途。
• Substituted pyrimidines, process for their preparation, and their use as
  申请人：Hoechst Aktiengesellschaft

  公开号：US05571815A1

  公开（公告）日：1996-11-05

  The invention relates to compounds of the formula ##STR1## in which R.sup.1, R.sup.2, R.sup.3 and Q are as defined in the description, X is NH or oxygen and E is a bond or a 1- to 4-membered carbon chain, to a process for their preparation, to agents containing them, and to their use in the control of pests and as fungicides.

  这项发明涉及到公式##STR1##中的化合物，其中R.sup.1、R.sup.2、R.sup.3和Q如描述中所定义，X为NH或氧，E为键或含有1至4个碳原子的链，以及它们的制备方法，含有它们的试剂，以及它们在害虫控制和杀菌剂中的用途。
• Triazole antifungal agents
  申请人：Pfizer Inc.

  公开号：US05278175A1

  公开（公告）日：1994-01-11

  The invention provide antifungal compounds of the formula: ##STR1## and pharmaceutically acceptable salts thereof, wherein R is phenyl substituted by 1 to 3 substituents each independently selected from halo, --CF.sub.3 and --OCF.sub.3 ; R.sup.1 is C.sub.1 -C.sub.4 alkyl; R.sup.2 is H or C.sub.1 -C.sub.4 alkyl; X is CH or N; and Y is F or Cl.

  该发明提供了下列公式的抗真菌化合物：##STR1##及其药用可接受的盐，其中R是苯基，其上取代1至3个取代基，每个取代基独立选择自卤素、--CF.sub.3和--OCF.sub.3；R.sup.1是C.sub.1-C.sub.4烷基；R.sup.2是H或C.sub.1-C.sub.4烷基；X是CH或N；Y是F或Cl。