1-Benzyl-Δ²-1,2,4-triazolon-(5) | 212203-04-8

• 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-Benzyl-Δ²-1,2,4-triazolon-(5)
• 英文别名: 2-benzyl-1,2-dihydro-[1,2,4]triazol-3-one；1-benzyl-1H-1,2,4-triazol-5(4H)-one；2-benzyl-4H-1,2,4-triazol-3-one
• CAS: 212203-04-8
• 化学式: C₉H₉N₃O
• 分子量: 175.19
• InChiKey: ZCTFKQLIGBGEDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2,4-difluorophenyl)-N-isopropylcarbamoyl chloride 、 1-Benzyl-Δ²-1,2,4-triazolon-(5) 在 吡啶 作用下， 以 水 、 甲苯 为溶剂， 以54%的产率得到1-benzyl-4-(N-isopropyl-N-2,4-difluorophenylcarbamoyl)-1,2,4-triazol-5-one
  参考文献：
  名称：

  1-Substituted 4-carbamoyl-1,2,4-triazol-5-one derivatives and herbicide

  摘要：

  通用公式（I）表示的一种1-苯基、萘基或烷基-4-(N,N-二取代氨基甲酰基)-1,2,4-三唑-5-酮衍生物，其中A是未取代或取代的苯基、1-萘基、5,6,7,8-四氢-1-萘基或烷基基团，如未取代或取代的苄基基团等，R.sub.1是低碳基基团等，R.sub.2是未取代或取代的苯基基团等，作为新型化合物制备。这种1-取代-4-氨基甲酰基-1,2,4-三唑-5-酮衍生物对各种农业作物基本不具有植物毒性，因此可用作选择性除草剂。

  公开号：

  US06077814A1
• 作为产物：
  描述：

  benzylhydrazine dihydrochloride 、 乙醛酸 在 盐酸 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 水 、 甲苯 为溶剂， 以53%的产率得到1-Benzyl-Δ²-1,2,4-triazolon-(5)
  参考文献：
  名称：

  1-Substituted 4-carbamoyl-1,2,4-triazol-5-one derivatives and herbicide

  摘要：

  通用公式（I）表示的一种1-苯基、萘基或烷基-4-(N,N-二取代氨基甲酰基)-1,2,4-三唑-5-酮衍生物，其中A是未取代或取代的苯基、1-萘基、5,6,7,8-四氢-1-萘基或烷基基团，如未取代或取代的苄基基团等，R.sub.1是低碳基基团等，R.sub.2是未取代或取代的苯基基团等，作为新型化合物制备。这种1-取代-4-氨基甲酰基-1,2,4-三唑-5-酮衍生物对各种农业作物基本不具有植物毒性，因此可用作选择性除草剂。

  公开号：

  US06077814A1

文献信息

• 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE
  申请人：HOKKO CHEMICAL INDUSTRY CO. LTD.

  公开号：EP0974587A1

  公开（公告）日：2000-01-26

  A 1-phenyl, naphthyl or aralkyl-4-(N,N-di-substituted carbamoyl)-1,2,4-triazol-5-one derivative represented by the general formula (I) wherein A is an unsubstituted or substituted phenyl group, 1-naphthyl group, 5,6,7,8-tetrahydro-1-naphthyl group or an aralkyl group such as an unsubstituted or substituted benzyl group and so on, R1 is a lower alkyl group and so on, and R2 is an unsubstituted or substituted phenyl group and so on, was prepared as novel compounds. This 1-substituted-4-carbamoyl-1,2,4-triazol-5-one derivative does not substantially exhibit phytotoxicity to various agricultural crop plants and therefore is useful as a selective herbicide.

  由通式(I)代表的1-苯基、萘基或芳基-4-(N,N-二取代氨基甲酰基)-1,2,4-三唑-5-酮衍生物 其中 A 是未取代或取代的苯基、1-萘基、5,6,7,8-四氢-1-萘基或芳烷基，如未取代或取代的苄基等；R1 是低级烷基等；R2 是未取代或取代的苯基等。这种 1-取代-4-氨基甲酰基-1,2,4-三唑-5-酮衍生物对各种农作物植物没有实质性的植物毒性，因此可用作选择性除草剂。
• FATTY ACID SYNTHASE INHIBITORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP2616071A2

  公开（公告）日：2013-07-24
• PIPERIDINE/PIPERAZINE DERIVATIVES
  申请人：Janssen Pharmaceutica NV

  公开号：US20170029440A1

  公开（公告）日：2017-02-02

  The invention further relates to a DGAT inhibitor of formula including any stereochemically isomeric form thereof, wherein A represents CH or N; the dotted line represents an optional bond in case A represents a carbon atom; X represents —NR x —C(═O)—; —Z—C(═O)—; —Z—NR x —C(═O)—; —S(═O)p-; —C(═S)—; —NR x —C(═S)—; —Z—C(═S)—; —Z—NR x —C(═S)—; —O—C(═O)—; —C(═O)—C(═O)—; R 1 represents a 5-membered monocyclic heterocycle containing at least 2 heteroatoms; a 6-membered aromatic monocyclic heterocycle; or a 5-membered heterocycle containing at least 2 heteroatoms fused with phenyl, cyclohexyl or a 5- or 6-membered heterocycle; wherein each of said heterocycles may optionally be substituted; R 2 represents R 3 ; R 3 represents C 3-6 cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzodioxinyl, 1,3-benzodioxolyl, 2,3-dihydrobenzofuranyl or a 6-membered aromatic heterocycle containing 1 or 2 N atoms, wherein said C 3 - 6 cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzo-dioxinyl, 1,3-benzodioxolyl, 2,3-dihydrobenzofuranyl or 6-membered aromatic heterocycle may optionally be substituted; a N-oxide thereof, a pharmaceutically acceptable salt thereof or a solvate thereof. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds.
• DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST
  申请人：Janssen Pharmaceutica NV

  公开号：US20180028660A1

  公开（公告）日：2018-02-01

  The present invention relates to combinations of a DGAT inhibitor and a peroxisome proliferator-activator receptor (PPAR) agonist or a prodrug thereof. The invention further relates to methods for preparing such combinations, pharmaceutical compositions comprising said combinations as well as the use as a medicament of said combinations. The present invention also relates to novel DGAT inhibitors. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicament of said compounds.
• US6077814A
  申请人：——

  公开号：US6077814A

  公开（公告）日：2000-06-20