1,5-二苯基-1,2,4-三唑-3-甲酰胺 | 85232-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,5-二苯基-1,2,4-三唑-3-甲酰胺
• 英文名称: 1,5-diphenyl-1H-[1,2,4]triazole-3-carboxylic acid amide
• 英文别名: 1,5-Diphenyl-1H-[1,2,4]triazol-3-carbonsaeure-amid；1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide；1.5-Diphenyl-1.2.4-triazol-carbonsaeure-(3)-amid；1,5-diphenyl-1,2,4-triazole-3-carboxamide
• CAS: 85232-24-2
• 化学式: C₁₅H₁₂N₄O
• 分子量: 264.286
• InChiKey: HYKBMXNRBPETIK-UHFFFAOYSA-N

物化性质

• 熔点：
  198-199 °C
• 沸点：
  511.5±33.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  amino-(N'-phenyl-hydrazono)-acetonitrile 在 乙醇 、 双氧水 作用下， 生成 1,5-二苯基-1,2,4-三唑-3-甲酰胺
  参考文献：
  名称：

  Bladin, Chemische Berichte, 1889, vol. 22, p. 796

  摘要：

  DOI：

文献信息

• 1-Phenyl-5-heterocyclic-1H-1, 2,4-triazole-3-carboxamide derivates, process for preparation of the same, and fungicidal composition comprising the same
  申请人：KUREHA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0562479A1

  公开（公告）日：1993-09-29

  A derivative of 1-phenyl-5-heterocyclic-1H-1,2,4-triazole-3-carboxamide represented by the following general formula (I), a process for the manufacture thereof, and an fungicidal composition comprising the same as an active ingredient. wherein R¹ is a C₁-C₆ alkyl group, R² is a C₁-C₈ alkyl group or a phenylmethyl group, X¹ represents a hydrogen atom, a C₁-C₄ alkyl group or a halogen atom, Y¹ is a hydrogen atom or a C₁-C₄ alkyl group, Y² is a hydrogen atom, a C₁-C₄ alkyl group, or a halogen atom, A¹ represents a group -N=CH-, -NH-, -N(C₁-C₄ alkyl)-, -N(Ph)-, -O-, or -S-, and W¹ denotes a group -C(W²)= or -N=, wherein W² is a hydrogen atom, a C₁-C₄ alkyl group, or a halogen atom.

  一种由以下通用公式（I）表示的1-苯基-5-杂环-1H-1,2,4-三唑-3-羧酰胺的衍生物，其制备方法，以及包含其作为活性成分的杀真菌组合物。其中R¹是C₁-C₆烷基，R²是C₁-C₈烷基或苯甲基，X¹代表氢原子，C₁-C₄烷基或卤素原子，Y¹是氢原子或C₁-C₄烷基，Y²是氢原子，C₁-C₄烷基或卤素原子，A¹表示基团-N=CH-，-NH-，-N（C₁-C₄烷基）-，-N（Ph）-，-O-或-S-，W¹表示基团-C（W²）=或-N=，其中W²是氢原子，C₁-C₄烷基或卤素原子。
• COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION
  申请人：Lange Josephus H.M.

  公开号：US20080153867A1

  公开（公告）日：2008-06-26

  Embodiments of this invention relate to compounds having a combination of cannabinoid-CB 1 antagonism and cholinesterase inhibition, to pharmaceutical compositions comprising these compounds, to methods for preparing these compounds, methods for preparing novel intermediates useful for the synthesis of these compounds, and methods for preparing compositions comprising these compounds. The invention also relates to methods of treating Alzheimer's disease, cognitive disorders, memory disorders, dementia, attention deficit disorder, traumatic brain injury, drug dependence, addiction or substance abuse by administering a pharmaceutical composition comprising these compounds to a patient in need thereof. A compound with a combination of cannabinoid-CB 1 antagonism and cholinesterase inhibition is a compound of formula (1) wherein the symbols have the meanings given in the specification.

  本发明实施例涉及具有大麻素-CB1拮抗和胆碱酯酶抑制作用的化合物，包括这些化合物的制药组合物，制备这些化合物的方法，制备用于合成这些化合物的新型中间体的方法，以及制备包含这些化合物的组合物的方法。本发明还涉及通过向需要此类治疗的患者投与包含这些化合物的制药组合物来治疗阿尔茨海默病、认知障碍、记忆障碍、痴呆、注意力缺陷障碍、创伤性脑损伤、药物依赖、成瘾或药物滥用的方法。具有大麻素-CB1拮抗和胆碱酯酶抑制作用的化合物是式（1）中符号具有规范中给出的含义的化合物。
• 1,5-Diphenyl-1H-1,2,4-triazole-3-carboxamide derivatives and herbicidal composition containing the same
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0282303A1

  公开（公告）日：1988-09-14

  Herbicidal derivatives of 1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide are represented by the formula (I): wherein R is a straight-chain alkyl group having from 1 to 10 carbon atoms which is unsubstituted or substituted by from 1 to 19 fluorine atoms, a branched alkyl group having from 3 to 10 carbon atoms which is unsubstituted or substituted by from 1 to 19 fluorine atoms, a cycllic alkyl group having from 3 to 10 carbon atoms, an alkyl group having from 1 to 3 carbon atoms which is substituted with an alicyclic structure having from 3 to 7 carbon atoms, a phenyl group or an aralkyl group having from 7 to 9 carbon atoms; X1 is halogen or an alkyl group having from 1 to 3 carbon atoms; X2 is hydrogen, halogen or an alkyl group having from 1 to 3 carbon atoms; Y1 is hydrogen or fluorine; and Y2 is hydrogen or fluorine.

  1,5-二苯基-1H-1,2,4-三唑-3-甲酰胺的除草衍生物由式(I)表示： 其中 R 是具有 1 至 10 个碳原子且未被取代或被 1 至 19 个氟原子取代的直链烷基、具有 3 至 10 个碳原子且未被取代或被 1 至 19 个氟原子取代的支链烷基、具有 3 至 10 个碳原子的环状烷基、具有 1 至 3 个碳原子且被具有 3 至 7 个碳原子的脂环结构取代的烷基、苯基或具有 7 至 9 个碳原子的芳基；X1 是卤素或具有 1 至 3 个碳原子的烷基；X2 是氢、卤素或具有 1 至 3 个碳原子的烷基；Y1 是氢或氟；Y2 是氢或氟。
• A derivative of 1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide, herbicidal compositions containing the derivative and process for producing the derivative
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0297734A3

  公开（公告）日：1989-03-29

  Herbicidal derivatives of 1,5-diphenyl-1H-­1,2,4-triazole-3-carboxamide are represented by the following formula (I): wherein R represents an alkyl group of 2 to 10 carbon atoms which is substituted by fluorine atom(s) and X represents a hydrogen atom or a fluorine atom.

  1,5-二苯基-1H-1,2,4-三唑-3-甲酰胺的除草衍生物由下式(I)表示： 其中 R 代表被氟原子取代的 2 至 10 个碳原子的烷基，X 代表氢原子或氟原子。
• Benzyl ether derivatives
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0454182A2

  公开（公告）日：1991-10-30

  Novel benzyl ether derivatives are disdosed of the following formula A: wherein R is a straight-chain alkyl group having 1 to 10 carbon atoms which is non-substituted or substituted with 1 to 19 fluorine atoms, a branched alkyl group having 3 to 10 carbon atoms which is non-substituted or substituted with 1 to 19 fluorine atoms, a cyclic group having 3 to 10 carbon atoms, an alkyl group having 1 to 3 carbon atoms which is substituted with an alicyclic structure having 3 to 7 carbon atoms, a phenyl group or an aralkyl group having 7 to 9 carbon atoms ; X1 is a halogen or an alkyl group having 1 to 3 carbon atoms; X2 is hydrogen, a halogen or an alkyl group having 1 to 3 carbon atoms; and Z is NH2 or N02. The compounds are useful as intermediates in the preparation of herbicidal 1,5-diphenyl-1H-1,2,4-triazolecarboxamide derivatives.

  新颖的苄基醚衍生物由下式 A 代出： 其中 R 是具有 1 至 10 个碳原子且未被取代或被 1 至 19 个氟原子取代的直链烷基、具有 3 至 10 个碳原子且未被取代或被 1 至 19 个氟原子取代的支链烷基、具有 3 至 10 个碳原子的环状基团、具有 1 至 3 个碳原子且被具有 3 至 7 个碳原子的脂环结构取代的烷基、苯基或具有 7 至 9 个碳原子的芳烷基；X1 是卤素或具有 1 至 3 个碳原子的烷基；X2 是氢、卤素或具有 1 至 3 个碳原子的烷基；Z 是 NH2 或 N02。 这些化合物可用作制备除草剂 1,5-二苯基-1H-1,2,4-三唑甲酰胺衍生物的中间体。