1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole | 1445975-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
• 英文别名: 1-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
• CAS: 1445975-57-4
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: IACNKJJVAFZQCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲氧苯胺 、 原甲酸三乙酯 、 (Z)-N-(tosyloxy)acetimidamide 在 乙基磺酸 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 以75%的产率得到1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
  参考文献：
  名称：

  1-芳基1,2,4-三唑的多组分合成

  摘要：

  探索和开发了一种用于合成1-芳基1,2,4-三唑的多组分（单反应器）工艺。该转化直接从苯胺，氨基吡啶和嘧啶制备1,2,4-三唑。用21种不同的底物探索了反应范围，并通过15 N标记和NMR光谱确定了新形成的环中氮原子的位置。

  DOI：

  10.1021/ol401428x

文献信息

• Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors
  申请人：BASF SE

  公开号：US20140323305A1

  公开（公告）日：2014-10-30

  The present invention relates to the use of strobilurine type compounds of formula I and the N-oxides and the salts thereof for combating phytopathogenic fungi containing a mutation in the mitochondrial cytochrome b gene conferring resistance to Qo inhibitors, and to methods for combating such fungi. The invention also relates to novel compounds, processes for preparing these compounds, to compositions comprising at least one such compound, to plant health applications, and to seeds coated with at least one such compound.

  本发明涉及使用式I的蘑菇酸类化合物以及其N-氧化物和盐来对抗含有对Qo抑制剂产生耐药性的线粒体细胞色素b基因突变的植物病原真菌，以及对抗这类真菌的方法。该发明还涉及新颖的化合物、制备这些化合物的方法、包含至少一种这样的化合物的组合物、植物健康应用以及至少一种这样的化合物包被的种子。
• ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：US20160213640A1

  公开（公告）日：2016-07-28

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and an anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R 1 is a hydrogen atom, an alkyl group and the like, R 2 , R 3 , and R 4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R 5 and R 6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar 1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is —O—, —S—, —SO 2 —, or —N(R 7 )— wherein R 7 is a hydrogen atom, a (C 1 -C 6 )alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有高安全性和优越抗癌活性的抗癌剂，以及一种含有氨基乙腈化合物作为活性成分的抗癌剂，所述氨基乙腈化合物由以下式(I)表示：其中R1为氢原子、烷基等，R2、R3和R4相同或不同，每个为氢原子、烷基等，R5和R6相同或不同，每个为氢原子、卤原子等，m为0或1，R为卤原子、氰基、硝基、苯基（可选择地由烷基取代）等，烷基等，Ar1为苯基、萘基、吡啶基、吡唑基等，每个均可选择地由卤原子、氰基、硝基、烷基等取代，W为—O—、—S—、—SO2—或—N(R7)—，其中R7为氢原子、(C1-C6)烷基等，或其药理学上可接受的盐。
• [EN] ANTI CANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT<br/>[FR] AGENT ANTICANCÉREUX COMPRENANT UN COMPOSÉ D'AMINOACÉTONITRILE EN TANT QUE PRINCIPE ACTIF
  申请人：NIHON NOHYAKU CO LTD

  公开号：WO2016137010A1

  公开（公告）日：2016-09-01

  The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 is a hydrogen atom, an alkyl group and the like, R2, R3, and R4 are the same or different and each is a hydrogen atom, an alkyl group and the like, R5 and R6 are the same or different and each is a hydrogen atom, a halogen atom and the like, m is 0 or 1, R is a halogen atom, a cyano group, a nitro group, a phenyl group optionally substituted by an alkyl group and the like, an alkyl group and the like, Ar1 is a phenyl group, a naphthyl group, a pyridyl group, a pyrazolyl group, or the like, each of which is optionally substituted by a halogen atom, a cyano group, a nitro group, alkyl group and the like, and W is -O-, -S-, -SO2-, or -N(R7)- wherein R7 is a hydrogen atom, a (C1-C6) alkyl group and the like, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有高安全性和优越抗癌活性的抗癌药物，该抗癌药物含有作为活性成分的氨基乙腈化合物，其化学式表示为（I），其中R1是氢原子、烷基等，R2、R3和R4相同或不同，每个是氢原子、烷基等，R5和R6相同或不同，每个是氢原子、卤原子等，m为0或1，R是卤原子、氰基、硝基、苯基（可选择地由烷基取代）等，Ar1是苯基、萘基、吡啶基、吡唑基等，每个基可选择地由卤原子、氰基、硝基、烷基等取代，W是-O-、-S-、-SO2-或-N(R7)-，其中R7是氢原子、（C1-C6）烷基等，或其药理学上可接受的盐。
• STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI
  申请人：BASF SE

  公开号：US20160122327A1

  公开（公告）日：2016-05-05

  The present invention relates to novel strobilurine type compounds I, processes for preparing these compounds, a use of compounds of the formula I and/or their agriculturally useful salts for controlling phytopathogenic fungi, to compositions comprising at least one such compound, to plant health applications, and to seeds coated with at least one such compound.

  本发明涉及新型的链霉菌素类化合物I，制备这些化合物的方法，化合物I及/或其农业有用的盐用于控制植物病原真菌，至少包含一种这样的化合物的组合物，植物健康应用，以及至少涂覆一种这样的化合物的种子。
• Strobilurin Type Compounds for Combating Phytopathogenic Fungi
  申请人：BASF SE

  公开号：US20160145202A1

  公开（公告）日：2016-05-26

  The present invention relates to novel strobilurine type compounds, to compositions comprising at least one such compound, to methods for combating phytopathogenic fungi, to the use of such compounds and to seeds coated with at least one such compound.

  本发明涉及新型的环丙基丙烯酸酯类化合物，涉及至少含有该化合物的组合物，涉及用于对抗植物病原真菌的方法，涉及使用该类化合物以及至少含有该类化合物的种子涂层。