1-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid | 1111881-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• 英文别名: 1-[(3,5-Dichlorophenyl)methyl]-5-methyltriazole-4-carboxylic acid
• CAS: 1111881-83-4
• 化学式: C₁₁H₉Cl₂N₃O₂
• 分子量: 286.117
• InChiKey: UNCBATAYSRIMLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 、 邻氯苯磺酰胺 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 以69 %的产率得到N-((2-chlorophenyl)sulfonyl)-1-(3,5-dichlorobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
  参考文献：
  名称：

  [EN] 1,2,3-TRIAZOLE CARBONYL SULFONYLAMIDE COMPOUNDS AND USE THEREOF
  [FR] COMPOSÉS 1,2,3-TRIAZOLE CARBONYLE SULFONYLAMIDE ET LEUR UTILISATION

  摘要：

  The present invention provides novel 1,2,3-triazole carbonyl sulfonylamide compounds of formula (I), Formula (I) wherein, R1, R2and Z are as defined in the detailed description. The present invention further relates to their preparation and their use to protect crops against undesired pests such as nematodes.

  公开号：

  WO2023144711A1
• 作为产物：
  描述：

  1-(3,5-Dichloro-benzyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以44.5 %的产率得到1-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
  参考文献：
  名称：

  [EN] 1,2,3-TRIAZOLE CARBONYL SULFONYLAMIDE COMPOUNDS AND USE THEREOF
  [FR] COMPOSÉS 1,2,3-TRIAZOLE CARBONYLE SULFONYLAMIDE ET LEUR UTILISATION

  摘要：

  The present invention provides novel 1,2,3-triazole carbonyl sulfonylamide compounds of formula (I), Formula (I) wherein, R1, R2and Z are as defined in the detailed description. The present invention further relates to their preparation and their use to protect crops against undesired pests such as nematodes.

  公开号：

  WO2023144711A1

文献信息

• [EN] 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS<br/>[FR] DÉRIVÉS DE 1,2,3-TRIAZOLE DESTINÉS À ÊTRE UTILISÉS COMME INHIBITEURS DE LA STÉAROYL-COA DÉSATURASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009060053A1

  公开（公告）日：2009-05-14

  The present invention relates to substituted triazole compounds of the formula (I) and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及公式（I）的取代三唑化合物及其药学上可接受的盐，含有它们的药物组合物以及它们在医学上的应用。具体而言，该发明涉及用于调节SCD活性的化合物。
• COMPOUNDS
  申请人：GlaxoSmithKline LLC

  公开号：US20130281499A1

  公开（公告）日：2013-10-24

  The present invention relates to substituted triazole compounds of the formula (I): and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及公式（I）的取代三唑化合物及其药学上可接受的盐，含有它们的制药组合物以及它们在医学上的应用。具体而言，本发明涉及用于调节SCD活性的化合物。
• 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS
  申请人：Bouillot Anne Marie Jeanne

  公开号：US20100297054A1

  公开（公告）日：2010-11-25

  The present invention relates to substituted triazole compounds of the formula (I): and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及式(I)的取代三唑化合物及其药学上可接受的盐，含有它们的制药组合物以及它们在医药上的应用。特别地，本发明涉及用于调节SCD活性的化合物。
• 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors
  申请人：Glaxosmithkline LLC

  公开号：EP2368887A1

  公开（公告）日：2011-09-28

  The present invention relates to substituted triazole compounds of the formula (I) and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及式（I）的取代三唑化合物及其药学上可接受的盐、含有它们的药物组合物以及它们在医学中的用途。本发明尤其涉及调节 SCD 活性的化合物。
• 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS
  申请人：Glaxosmithkline LLC

  公开号：EP2368887B1

  公开（公告）日：2014-02-26