2-(4-甲基苯基)-4,6-二氯嘧啶 | 21139-61-7

• 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: 2-(4-甲基苯基)-4,6-二氯嘧啶
• 英文名称: 2-(4-methylphenyl)-4,6-dichloropyrimidine
• 英文别名: 4,6-dichloro-2-(p-tolyl)pyrimidine；4,6-Dichlor-2-(p-tolyl)pyrimidin；4,6-dichloro-2-(4-methylphenyl)pyrimidine；2-para-tolyl-4,6-dichloropyrimidine；4,6-dichloro-2-p-tolyl-pyrimidine；4,6-dichloro-2-(4-tolyl)-pyrimidine；Pyrimidine, 4,6-dichloro-2-(4-methylphenyl)-
• CAS: 21139-61-7
• 化学式: C₁₁H₈Cl₂N₂
• 分子量: 239.104
• InChiKey: SPGOAFUOMCIVDB-UHFFFAOYSA-N

物化性质

• 熔点：
  84.5-85.0 °C(Solv: methanol (67-56-1))
• 沸点：
  253.0±40.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 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：

  2-(4-甲基苯基)-4,6-二氯嘧啶 在 palladium on activated charcoal N-溴代丁二酰亚胺(NBS) 、 乙醇 、 2-硝基丙烷 、 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile 、 氢气 、 sodium 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~65.0 ℃ 、101.33 kPa 条件下， 反应 5.28h， 生成 4-(2-嘧啶)苯甲醛
  参考文献：
  名称：

  Anil-Synthese。23.米特隆。Üsterdie Herstellung von Styryl- und Stilbenyl-Derivaten des Pyrimidins † ‡

  摘要：

  嘧啶的苯乙烯基和二苯乙烯基衍生物的制备

  DOI：

  10.1002/hlca.19810640114
• 作为产物：
  描述：

  4-甲基苯甲脒盐酸盐 在 sodium methylate 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 6.0h， 生成 2-(4-甲基苯基)-4,6-二氯嘧啶
  参考文献：
  名称：

  Anil-Synthese。23.米特隆。Üsterdie Herstellung von Styryl- und Stilbenyl-Derivaten des Pyrimidins † ‡

  摘要：

  嘧啶的苯乙烯基和二苯乙烯基衍生物的制备

  DOI：

  10.1002/hlca.19810640114

文献信息

• Phenylpyrimidines as antidotes for protecting cultivated plants against
  申请人：Ciba Geigy Corporation

  公开号：US04493726A1

  公开（公告）日：1985-01-15

  Phenylpyrimidines of the formula I as defined below are suitable as antidotes for protecting cultivated plants from phytotoxic effects caused by herbicides. These antidotes, either together with the herbicides or also by themselves, are applied to the plants or incorporated in the soil in which the plants grow, or they are used to treat the seeds of the plants. Suitable herbicides are those belonging to the class of the haloacetanilides, haloacetamides, thiocarbamates, carbamates, nitroanilides, triazines, phenylureas, haloacetic acids, phenoxy- and pyridyloxyphenoxyalkanecarboxylic acid derivatives, benzoic acid derivatives etc. The phenylpyrimidines have the formula I ##STR1## wherein n is an integer from 1 to 5, R is hydrogen, halogen, cyano, nitro or hydroxyl, a C.sub.1 -C.sub.6 -alkyl, C.sub.1 -C.sub.6 alkoxy or C.sub.1 -C.sub.6 alkylthio group, which is unsubstituted or mono- or polysubstituted by halogen, C.sub.1 -C.sub.6 alkoxy, C.sub.2 -C.sub.12 alkoxyalkyl, C.sub.1 -C.sub.6 alkylcarbonyl, C.sub.1 -C.sub.6 alkylcarbonyloxy, C.sub.1 -C.sub.6 alkoxycarbonyl, C.sub.2 -C.sub.6 alkenylcarbonyl or C.sub.2 -C.sub.6 alkynylcarbonyl, di(C.sub.1 -C.sub.6)alkylamino, C.sub.1 -C.sub.6 alkylenedioxy, phosphonyl or C.sub.1 -C.sub.6 alkylphosphonyl; or R is a C.sub.2 -C.sub.6 alkenyl or C.sub.2 -C.sub.6 alkenyloxy group or the formyl or carboxyl group; or is a carbonyl or carbonyloxy group which is substituted by C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 haloalkyl, C.sub.1 -C.sub.6 alkoxy, C.sub.2 -C.sub.6 alkenyl, C.sub.2 -C.sub.6 alkynyl, amino, di(C.sub.1 -C.sub.6)alkylamino, or by a 5- to 6-membered saturated heterocyclic ring which is bound through the nitrogen atom; or is an amino group which is unsubstituted or substituted by C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkoxy or C.sub.1 -C.sub.6 alkylcarbonyl; or it is an ureido radical which is unsubstituted or substituted by C.sub.1 -C.sub.6 alkyl or C.sub.1 -C.sub.6 alkoxy or it is the sulfonyl, a C.sub.1 -C.sub.6 alkylsulfonyl, the sulfamoyl, a C.sub.1 -C.sub.6 alkylsulfamoyl or a C.sub.1 -C.sub.6 alkylcarbonylsulfamoylrest, R.sub.1 and R.sub.3 each independently of the other is halogen, cyano, hydroxyl, sulfhydryl, a C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkoxy or C.sub.1 -C.sub.6 ethylthio radical, which is unsubstituted or substituted by halogen or C.sub.1 -C.sub.6 alkoxy; a C.sub.2 C.sub.6 alkenyl or C.sub.2 -C.sub.6 alkynyl radical, a C.sub.3 -C.sub.6 cycloalkyl radical, an amino, C.sub.1 -C.sub.6 alkylamino or di(C.sub.1 -C.sub.6 alkyl) amino, group, a 5- to 6-membered saturated heterocyclic ring, which is bound through the nitrogen atom, a phenyl or phenoxyrest and R.sub.2 is hydrogen, halogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 haloalkyl or phenyl.

  下面定义的式I的苯基嘧啶类化合物适用作为抗毒剂，用于保护栽培植物免受除草剂引起的植物毒性效应。这些抗毒剂可以与除草剂一起使用，也可以单独使用，施用于植物或混入植物生长的土壤中，或用于处理植物的种子。适用的除草剂包括属于卤代乙酰苯胺类、卤代乙酰胺类、硫代氨基甲酸酯类、氨基甲酸酯类、硝基苯胺类、三嗪类、苯基脲类、卤代乙酸类、苯氧基和吡啶氧基苯氧基烷基羧酸衍生物、苯甲酸衍生物等类别的除草剂。苯基嘧啶类化合物具有式I的结构，其中n是1到5之间的整数，R是氢、卤素、氰基、硝基或羟基，是未取代或经卤素、烷氧基、烷氧基烷基、烷基羰基、烷基羰氧基、烷氧羰基、烯基羰基或炔基羰基、二烷基氨基、烷基二氧基、磷酰基或烷基磷酰基取代的C.sub.1-C.sub.6-烷基、C.sub.1-C.sub.6烷氧基或C.sub.1-C.sub.6烷硫基；或R是C.sub.2-C.sub.6烯基或C.sub.2-C.sub.6烯氧基，或甲酰基或羧基；或是经烷基、卤代烷基、烷氧基、烯基、炔基、氨基、二烷基氨基取代的羰基或羰氧基；或是未取代或经烷基、烷氧基或烷基羰基取代的氨基；或是未取代或经烷基或烷氧基取代的尿素基，或是磺基、烷基磺基、磺酰胺基、烷基磺酰胺基或烷基羰基磺酰胺基基团，R.sub.1和R.sub.3各自独立地是卤素、氰基、羟基、硫氢基、未取代或经卤素或烷氧基取代的C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6烷氧基或C.sub.1-C.sub.6乙硫基基团，C.sub.2-C.sub.6烯基或C.sub.2-C.sub.6炔基基团，C.sub.3-C.sub.6环烷基基团，氨基、C.sub.1-C.sub.6烷基氨基或二烷基氨基基团，通过氮原子连接的5-至6-成员饱和杂环，苯基或苯氧基基团，R.sub.2是氢、卤素、C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6卤代烷基或苯基。
• 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。
• Aryl and heterocyclyl substituted pyrimidine derivatives as anti-coagulants
  申请人：Berlex Laboratories, Inc.

  公开号：US06372751B1

  公开（公告）日：2002-04-16

  This invention is directed to aryl and heterocyclyl substituted pyrimidine derivatives selected from the following formulae: wherein Z1, Z2, R1, R2, R3, R4, R5 and R6 are defined herein. These compounds are useful as anti-coagulants.

  这项发明涉及从以下公式中选择的芳基和杂环基取代的嘧啶衍生物： 其中Z1、Z2、R1、R2、R3、R4、R5和R6在此处定义。这些化合物可用作抗凝剂。
• Helicity-Encoded Molecular Strands: Efficient Access by the Hydrazone Route and Structural Features
  作者：Jean-Louis Schmitt、Adrian-Mihail Stadler、Nathalie Kyritsakas、Jean-Marie Lehn

  DOI：10.1002/hlca.200390137

  日期：2003.5

  condensation of hydrazine and carboxaldehyde derivatives of pym offers a very efficient approach to strands incorporating hyz instead of py units and constituted by sequences of alternating hyz and pym groups. A series of such strands of different lengths, up to ten hyz units, i.e., 1–7, were synthesized. Their spectral properties indicate that they fold indeed into helical shapes. Extensive characterization was

  在分子链的折叠控制可以由构成亚基的合适的选择，特别是对于特定杂环的链，如直接连接吡啶（PY）和嘧啶（PYM）环序列，其是公知的折叠成扩展的螺旋来实现结构。由于hydr（hyz）基团代表py位点的同构类似物，因此pym的肼和羧醛衍生物的缩合为掺入hyz而不是py单元并由交替的hyz和pym基团的序列构成的链提供了一种非常有效的方法。一系列不同长度的股线等，多达十个HYZ单位，即，1 - 7，被合成。它们的光谱性质表明它们确实折叠成螺旋形。通过1 HNMR光谱在溶液中进行了广泛的表征，并通过测定8条这样的链的晶体结构在固态下进行了广泛的表征。他们都显示预期的螺旋几何结构具有高达3 1 / 3圈和直接堆叠接触。合成方法的效率和灵活性，以及​​通过横向修饰产生多样性的广泛潜力，使得（hyzpym）亚基成为特别有吸引力的螺旋密码子。
• Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0665223A1

  公开（公告）日：1995-08-02

  Anti-tomor agents comprising novel 3(2H)-pyridazinone derivatives or salts thereof and methods of producing the same are disclosed. Also disclosed is a method for treating or preventing tumors by administering to a mammal a therapeutically effective amount of 4,5-di substituted 3(2H)-pyridazinones and salts thereof.

  本发明公开了包含新型3(2H)-吡啶嗪酮衍生物或其盐的抗肿瘤剂和其制备方法。同时还公开了一种通过向哺乳动物施用治疗有效量的4,5-二取代3(2H)-吡啶嗪酮及其盐来治疗或预防肿瘤的方法。