5-Amino-3-(2-chlorophenyl)-1,2-thiazole-4-carbonitrile | 1374858-84-0

• 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: 5-Amino-3-(2-chlorophenyl)-1,2-thiazole-4-carbonitrile
• CAS: 1374858-84-0
• 化学式: C₁₀H₆ClN₃S
• 分子量: 235.697
• InChiKey: MLZMNLZFXOHLOA-UHFFFAOYSA-N

物化性质

• 沸点：
  347.8±42.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Amino-3-(2-chlorophenyl)-1,2-thiazole-4-carbonitrile 在 硫酸 作用下， 反应 0.5h， 生成
  参考文献：
  名称：

  Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation

  摘要：

  The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease models, are disclosed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.025
• 作为产物：
  描述：

  2-[Amino-(2-chloro-phenyl)-methylene]-malononitrile 在 硫化氢 、 双氧水 、 三乙胺 作用下， 以 甲醇 、 苯 为溶剂， 反应 5.0h， 生成 5-Amino-3-(2-chlorophenyl)-1,2-thiazole-4-carbonitrile
  参考文献：
  名称：

  Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation

  摘要：

  The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease models, are disclosed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.025

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS PESTICIDES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS EN TANT QUE PESTICIDES
  申请人：BAYER AG

  公开号：WO2019105875A1

  公开（公告）日：2019-06-06

  The present application relates to heterocyclic compounds of formula (I), wherein A is phenyl or pyridine, Z is a 5-membered heterocycle and B is pyridine, pyrimidine or pyridazine, as well as compositions containing such compounds, their use for controlling animal pests including arthropods, insects and nematodes, and to processes and intermediates for the preparation of the heterocyclic compounds.

  本申请涉及式(I)的杂环化合物，其中A为苯或吡啶，Z为5元杂环，B为吡啶、嘧啶或吡啉，以及含有这种化合物的组合物，它们用于控制包括节肢动物、昆虫和线虫在内的动物害虫，并且涉及制备这种杂环化合物的过程和中间体。
• HETEROCYCLIC COMPOUNDS AS PESTICIDES
  申请人：Bayer Aktiengesellschaft

  公开号：US20210317112A1

  公开（公告）日：2021-10-14

  The present application relates to heterocyclic compounds, compositions containing such compounds, their use for controlling animal pests including arthropods, insects and nematodes, and to processes and intermediates for the preparation of the heterocyclic compounds.