4,6-二氯-2-(4-氯苯基)-嘧啶 | 26870-72-4

• 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: 4,6-二氯-2-(4-氯苯基)-嘧啶
• 英文名称: 4,6-dichloro-2-(4-chlorophenyl)-pyrimidine
• 英文别名: 4,6-dichloro-2-(4-chlorophenyl)pyrimidine；2-p-Chlorophenyl-4,6-dichloropyrimidine；4,6-dichloro-2-(4-chloro-phenyl)-pyrimidine；4,6-Dichlor-2-(4-chlor-phenyl)-pyrimidin；2-(4-chlorophenyl)-4,6-dichloropyrimidine
• CAS: 26870-72-4
• 化学式: C₁₀H₅Cl₃N₂
• 分子量: 259.522
• InChiKey: GFMYIEIPQDGPCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6-二氯-2-(4-氯苯基)-嘧啶 在 甲烷磺酸 、 乙酸酐 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 (E)-methyl 2-(2-(6-chloro-2-(4-chlorophenyl)pyrimidin-4-yloxy)phenyl)-3-(methoxy)acrylate
  参考文献：
  名称：

  新型基于β-甲氧基丙烯酸酯的Strobilurin类似物的合成及抗真菌活性

  摘要：

  嗜球果伞素已成为最重要的农业杀真菌剂之一。为了发现对耐药病原体具有高活性的新球果伞素衍生物，通过将取代的嘧啶与球果伞素药效团整合在一起，设计并合成了一系列新型的β-甲氧基丙烯酸酯类似物。通过红外，1 H核磁共振，元素分析和质谱对化合物进行了确认和表征。生物测定表明，大多数化合物1对球形炭疽菌，灰葡萄孢菌和辣椒疫霉均表现出有效的抗真菌活性。浓度为50μg/ mL的Leonian。令人振奋的是，化合物1a（R =甲基）对所有测试真菌的抗真菌活性均优于市售的伞形姜黄素杀真菌剂嘧菌酯。

  DOI：

  10.1002/cjoc.201200101
• 作为产物：
  描述：

  4-氯苯甲脒盐酸盐 在 盐酸 、 水 、 sodium methylate 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 4,6-二氯-2-(4-氯苯基)-嘧啶
  参考文献：
  名称：

  新型基于β-甲氧基丙烯酸酯的Strobilurin类似物的合成及抗真菌活性

  摘要：

  嗜球果伞素已成为最重要的农业杀真菌剂之一。为了发现对耐药病原体具有高活性的新球果伞素衍生物，通过将取代的嘧啶与球果伞素药效团整合在一起，设计并合成了一系列新型的β-甲氧基丙烯酸酯类似物。通过红外，1 H核磁共振，元素分析和质谱对化合物进行了确认和表征。生物测定表明，大多数化合物1对球形炭疽菌，灰葡萄孢菌和辣椒疫霉均表现出有效的抗真菌活性。浓度为50μg/ mL的Leonian。令人振奋的是，化合物1a（R =甲基）对所有测试真菌的抗真菌活性均优于市售的伞形姜黄素杀真菌剂嘧菌酯。

  DOI：

  10.1002/cjoc.201200101

文献信息

• [EN] PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS.<br/>[FR] DÉRIVÉS DE PYRIMIDINE, PYRIDINE ET TRIAZINE EN TANT QU'OUVREURS DE CANAUX MAXI-K
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2009125870A1

  公开（公告）日：2009-10-15

  A compound of formula (A); wherein ring A is an aromatic ring or a heteroaromatic ring; R1 is independently halogen, cyano, etc., each of X1, X2 and X3 is CR2 or nitrogen, R2 is independently hydrogen, etc., n is 0, 1, 2, 3 or 4; -D-Y is -O-CH2COOH, etc, and G is a substituted amino, a substituted heterocyclic group, etc, or a pharmaceutical acceptable salt thereof, has activities of opening BK channels.

  化合物的结构式（A）；其中环A是芳香环或杂芳环；R1独立地是卤素、氰基等；X1、X2和X3中的每一个是CR2或氮，R2独立地是氢等；n为0、1、2、3或4；-D-Y是-O-CH2COOH等；G是取代氨基、取代杂环基等，或其药用可接受盐，具有开放BK通道的活性。
• Pyrimidine A2b selective antagonist compounds, their synthesis and use
  申请人：——

  公开号：US20030162764A1

  公开（公告）日：2003-08-28

  The subject invention provides compounds having the structure: 1 wherein R 1 is substituted or unsubstituted phenyl or a 5-6 membered heterocyclic or heteroaromatic ring containing from 1 to 5 heteroatoms; R 2 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety; R 3 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 2 and R 3 are joined to form a heterocyclic ring; wherein the dashed line represents a second bond which may be present or absent, and when present R 3 is oxygen; R 4 and R 5 are each independently substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 4 NR 5 together form a substituted or unsubstituted monocyclic or bicyclic, heterocyclic or heteroaryl moiety containing from 1 to 6 heteroatoms; R 12 is hydrogen, alkyl, halogen or cyano; and n is 0, 1, 2, 3 or 4, or an enantiomer, or a specific tautomer, or a pharmaceutically acceptable salt thereof and a method for treating a disease associated with the A 2b adenosine receptor by administering a therapeutically effective amount of the compounds of the invention.

  本发明提供具有以下结构的化合物： 1 其中R 1 是取代或未取代的苯基或含1至5个杂原子的5-6元杂环或杂芳环；R 2 是氢，或取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分；R 3 是氢，或取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分，或者R 2 和R 3 连接形成一个杂环；其中虚线代表可能存在或不存在第二键，当存在时R 3 是氧；R 4 和R 5 各自独立地是取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分，或者R 4 和R 5 共同形成一个含1至6个杂原子的取代或未取代的单环或双环杂环或杂芳基部分；R 12 是氢，烷基，卤素或腈；且n是0，1，2，3或4，或其对应的手性体，或特定的互变异构体，或其药物可接受的盐，以及通过给药治疗与A 2b 腺苷受体相关疾病的方法。
• 4-Amino-2-phenyl-6-thiopryimidines
  申请人：American Home Products Corporation

  公开号：US03940395A1

  公开（公告）日：1976-02-24

  The invention is directed to 4-amino-2-phenyl-6-thiopyrimidine compounds having the formula ##SPC1## Where R.sup.1 -R.sup.3 are as defined in the specification. The compounds have pharmacodynamic activity as central nervous system depressants. That is, they produce a calming effect in the host.

  这项发明涉及具有以下结构式的4-氨基-2-苯基-6-硫代嘧啶化合物 ##SPC1## 其中R.sup.1 -R.sup.3如规范中定义。这些化合物具有作为中枢神经系统抑制剂的药效活性。换句话说，它们在宿主体内产生镇静作用。
• Fluorine-free titanocenes and the use thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05340701A1

  公开（公告）日：1994-08-23

  Fluorine-free titanocene compounds of the formula I or II ##STR1## in which both R.sub.1 radicals are preferably, independently of one another, cyclopentadienyl.sup..crclbar., which is unsubstituted or substituted by alkyl,alkoxy or --Si(R.sub.2).sub.3, and both R.sub.2 radicals are, in particular, alkyl, ##STR2## Z is --NR.sub.10 --, --0-- or --S--, Y is Cl, Br, I, CN, SCN, --O--CO--CH.sub.3, --O--CO--phenyl or --O--SO.sub.2 --CH.sub.3, n is 1 or 2, m is 0 or 1, where the sum of n and m must be 2, R.sub.3, R.sub.4 and R.sub.5 are in particular, independently of one another, hydrogen, Cl, alkyl, cycloalkyl, adamantyl, phenyl, pyrryl or biphenylyl, where these radicals are unsubstituted or substituted by alkyl, Cl, alkylthio, --NR.sub.8 R.sub.9, phenyl, phenylthio or C.sub.1 -C.sub.10 alkoxy, or R.sub.3, R.sub.4 and R.sub.5 are alkenyl, alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy, alkylthio, cycloalkylthio, benzylthio or phenylthio, where R.sub.3 and R.sub.4 are not simultaneously hydrogen, and if Q is a pyrimidyl radical, at least one radical R.sub.3 or R.sub.4 is alkoxy, cycloalkoxy, phenoxy, benzyloxy, tetrahydrofurfuryloxy or alkenyloxy, and if Z is --NR.sub.10 --, R.sub.3 and R.sub.4 are Cl Br or I, both radicals R.sub.6, independently of one another, are alkyl or alkenyl or both radicals R.sub.6 together with the nitrogen atom to which they are bonded, form a morpholino radical, R.sub.7 is alkyl, cycloalkyl or phenyl, R.sub.8 is phenyl or .alpha.-tertiary C.sub.4 -C.sub.6 alkyl, R.sub.9 is, in particular, hydrogen, alkyl, cycloalkyl, phenyl or a ##STR3## radical, where, in addition, the two R.sub.9 radicals in --N(R.sub.9).sub.2 are identical or different and, together with the nitrogen atom to which they are bonded, may form a 5- or 6-membered heterocyclic ring which, in addition to the nitrogen atom, may also contain further nitrogen, oxygen or sulfur atoms, R.sub.10 is as defined for R.sub.9 or additionally, in particular, is phenyl which is unsubstituted or substituted by Cl, C.sub.1 -C.sub.12 alkyl, C.sub.1 -C.sub.10 alkoxy, C.sub.1 -C.sub.8 alkylthio, phenylthio, morpholino or --N(C.sub.1 -C.sub.4 alkyl).sub.2, X is --O--, --S--, ##STR4## methylene or ethylene, and A is C.sub.1 -C.sub.12 alkylene or --X--A--X-- is a direct bond, are suitable as photoinitiators for photopolymerisation of compounds containing ethylenically unsaturated double bonds.

  化学式I或II的无氟二茂钛化合物 在其中，两个R.sub.1基团最好是独立的环戊二烯基.sup..crclbar.，它们未取代或被烷基、烷氧基或--Si(R.sub.2).sub.3取代，两个R.sub.2基团特别是烷基， Z是--NR.sub.10 --，--O--或--S--，Y是Cl、Br、I、CN、SCN、--O--CO--CH.sub.3、--O--CO--苯基或--O--SO.sub.2 --CH.sub.3，n为1或2，m为0或1，其中n和m的总和必须为2， R.sub.3、R.sub.4和R.sub.5特别是独立的氢、Cl、烷基、环烷基、莽丹基、苯基、吡啶基或联苯基，这些基团未取代或被烷基、Cl、烷硫基、--NR.sub.8 R.sub.9、苯基、苯硫基或C.sub.1 -C.sub.10烷氧基取代，或者R.sub.3、R.sub.4和R.sub.5是烯基、烷氧基、环烷氧基、苯氧基、苄氧基、四氢呋喃基氧基、烷硫基、环烷硫基、苄硫基或苯硫基，其中R.sub.3和R.sub.4不同时为氢，如果Q是嘧啶基团，至少一个基团R.sub.3或R.sub.4是烷氧基、环烷氧基、苯氧基、苄氧基、四氢呋喃基氧基或烯基氧基，如果Z是--NR.sub.10 --，R.sub.3和R.sub.4是Cl、Br或I，两个基团R.sub.6，独立地，是烷基或烯基，或两个基团R.sub.6与它们结合的氮原子一起形成吗哪啡基团，R.sub.7是烷基、环烷基或苯基，R.sub.8是苯基或.alpha.-三级C.sub.4 -C.sub.6烷基，R.sub.9特别是氢、烷基、环烷基、苯基或一个##STR3##基团，此外，在--N(R.sub.9).sub.2中的两个R.sub.9基团相同或不同，并且与它们结合的氮原子一起可以形成一个5-或6-成员的杂环，除了氮原子外，还可以包含进一步的氮、氧或硫原子，R.sub.10如R.sub.9定义或额外地，特别是苯基，未取代或被Cl、C.sub.1 -C.sub.12烷基、C.sub.1 -C.sub.10烷氧基、C.sub.1 -C.sub.8烷硫基、苯硫基、哪啡基或--N(C.sub.1 -C.sub.4烷基).sub.2取代，X是--O--、--S--、##STR4##亚甲基或乙烯基，A是C.sub.1 -C.sub.12亚烯基或--X--A--X--是直接键，适用于具有乙烯基不饱和双键的化合物的光聚合的光引发剂。
• Pyrimidine A2B selective antagonist compounds, their synthesis and use
  申请人：Castelhano Arlindo

  公开号：US20050119271A1

  公开（公告）日：2005-06-02

  The subject invention provides compounds having the structure: wherein R 1 is substituted or unsubstituted phenyl or a 5-6 membered heterocyclic or heteroaromatic ring containing from 1 to 5 heteroatoms; R 2 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety; R 3 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 2 and R 3 are joined to form a heterocyclic ring; wherein the dashed line represents a second bond which may be present or absent, and when present R 3 is oxygen; R 4 and R 5 are each independently substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 4 NR 5 together form a substituted or unsubstituted monocyclic or bicyclic, heterocyclic or heteroaryl moiety containing from 1 to 6 heteroatoms; R 12 is hydrogen, alkyl, halogen or cyano; and n is 0, 1, 2, 3 or 4, or an enantiomer, or a specific tautomer, or a pharmaceutically acceptable salt thereof and a method for treating a disease associated with the A 2b adenosine receptor by administering a therapeutically effective amount of the compounds of the invention.

  本发明提供具有以下结构的化合物： 其中，R1是取代或未取代的苯基或含有1至5个杂原子的5-6元杂环或杂芳基环；R2是氢，或取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；R3是氢，或取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；或R2和R3结合形成杂环环；其中虚线表示第二键可能存在或不存在，当存在时，R3是氧；R4和R5分别是取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；或R4NR5一起形成含有1至6个杂原子的取代或未取代的单环或双环，杂环或杂芳基；R12是氢，烷基，卤素或氰基；n为0、1、2、3或4，或其对映异构体，或其特定互变异构体，或其药学上可接受的盐，并提供了一种通过给予本发明化合物的治疗有效量来治疗与A2b腺苷受体相关的疾病的方法。