2-丁基硫烷基-5-甲基-1,3,4-噻二唑 | 88275-97-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-丁基硫烷基-5-甲基-1,3,4-噻二唑
• 英文名称: 5-butylthio-2-methyl-1,3,4-thiadiazole
• 英文别名: 2-(Butylsulfanyl)-5-methyl-1,3,4-thiadiazole；2-butylsulfanyl-5-methyl-1,3,4-thiadiazole
• CAS: 88275-97-2
• 化学式: C₇H₁₂N₂S₂
• 分子量: 188.318
• InChiKey: JDGRFWCNKDXETA-UHFFFAOYSA-N

物化性质

• 沸点：
  297.8±23.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  正溴丁烷 在 糖精 六甲基二硅氮烷 作用下， 以 六甲基磷酰三胺 、 甲苯 、 乙腈 为溶剂， 生成 2-丁基硫烷基-5-甲基-1,3,4-噻二唑
  参考文献：
  名称：

  Preparation of thioethers

  摘要：

  一种新型的制备硫醚的方法，包括将具有化学式R--S--SiR.sub.1 R.sub.2 R.sub.3 I的硅烷基硫醇与有机卤化物、硫酸酯或磺酸酯在六甲基膦酸三胺存在下反应，其中R为有机基，R.sub.1、R.sub.2和R.sub.3分别选自1至4个碳原子的烷基，最好在无极性溶剂中在0度至150度之间的中性条件下进行。

  公开号：

  US04496720A1

文献信息

• N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS
  申请人：Kurimura Muneaki

  公开号：US20090088406A1

  公开（公告）日：2009-04-02

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R 101 and R 102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物，其一般式为（1），或其盐，其中R101和R102分别是苯基或吡啶基，苯基或吡啶基可以具有一个或多个卤原子和低碳基团，可选地取代一个或多个卤原子等。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱并能够在短期内展现足够治疗效果的药物制剂。
• N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS
  申请人：KURIMURA Muneaki

  公开号：US20120065162A1

  公开（公告）日：2012-03-15

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R 101 and R 102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了一种吡咯烷化合物通式（1）或其盐，其中R101和R102各自独立地为苯基或吡啶基，所述苯基或吡啶基可以具有一个或多个卤素原子和低碳基团中的一个或多个卤素原子等取代基。本发明的吡咯烷化合物或其盐可用于制备具有更广泛治疗谱并能够在短期内展现足够治疗效果的药物制剂。
• Process for the preparation of thioethers
  申请人：GIST-BROCADES N.V.

  公开号：EP0088831A1

  公开（公告）日：1983-09-21

  Process for the preparation of thioethers by reacting a silylated thiol of the general formula: wherein R represents an organic group and R1, R2 and R3 are the same or different and each represents an alkyl group having 1 to 4 carbon atoms, with an organic halide, sulphate or sulphonate in the presence of hexamethylphosphoric triamide as a solvent or co-solvent. The process is carried out under neutral conditions in aprotic solvents at a temperature between 0° and 150°C.

  通式为：其中 R 代表有机基团，R1、R2 和 R3 相同或不同，且各自代表具有 1 至 4 个碳原子的烷基的硅烷化硫醇与有机卤化物、硫酸盐或磺酸盐在作为溶剂或助溶剂的六甲基磷酸三酰胺存在下反应制备硫醚的工艺。 该工艺在中性条件下，在温度为 0° 至 150°C 的钝溶剂中进行。
• N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10000450B2

  公开（公告）日：2018-06-19

  The present invention provides a pyrrolidine compound of General Formula (1) or a salt thereof, wherein R101 and R102 are each independently a phenyl group or a pyridyl group, the phenyl group or the pyridyl group may have one or more substituents selected from halogen atoms and lower alkyl groups optionally substituted with one or more halogen atoms, etc. The pyrrolidine compound or a salt thereof of the present invention is usable to produce a pharmaceutical preparation having a wider therapeutic spectrum and being capable of exhibiting sufficient therapeutic effects after short-term administration.

  本发明提供了通式（1）的吡咯烷化合物 或其盐，其中 R101 和 R102 各自独立地为苯基或吡啶基，苯基或吡啶基可具有一个或多个选自卤素原子和任选被一个或多个卤素原子取代的低级烷基等的取代基。本发明的吡咯烷化合物或其盐可用于生产具有更广治疗范围的药物制剂，并能在短期给药后显示出足够的治疗效果。
• Design and development of 1,3,4-thiadiazole based potent new nano-fungicides
  作者：Suprabhat Pal、Vikrant Singh、Rajesh Kumar、Robin Gogoi

  DOI：10.1016/j.molstruc.2020.128507

  日期：2020.11

  Being the important organic reaction intermediates and biological scaffolds, a series of 2-alkyl/aralkyl/ heterocyclyl sulfanyl-5-amino/methyl-1,3,4-thiadiazoles have been synthesized by suitable synthetic route and characterized by analytical and spectral data. The evaluation of these compounds for their bioefficacy against two phyto-pathogenic fungi revealed their fungicidal potency against Rhizoctonia bataticola (ED50 values, 3.9-300.4 mu g/mL) and Rhizoctonia solani (ED50 values, 4.2-228.5 mu g/mL). To further augment their fungicidal efficacy, the potent five fungicidal compounds were nano-sized. The protocol for preparing 1,3,4-thiadiazole based nano-fungicide employing polyethylene glycol was developed and standardized. Characterization of nano-forms of 1,3,4-thiadiazole derivatives by particle size analyzer and electron microscopy (TEM) techniques confirmed the <100 nm average particle sizes of all nano-fungicides. The 2-4 times higher fungicidal activity was observed with nano-forms than the corresponding conventional sized 1,3,4-thiadiazole derivatives against phytopathogenic fungi, namely, Rhizoctonia solani and R. bataticola. (C) 2020 Elsevier B.V. All rights reserved.