2-苯基-1,3,4-噻二唑 | 117342-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苯基-1,3,4-噻二唑
• 英文名称: 2-(4-chlorophenyl)-1,3,4-thiadiazole
• CAS: 117342-61-7
• 化学式: C₈H₅ClN₂S
• 分子量: 196.66
• InChiKey: PTLPJRUVDJGPEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 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：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-苯基-1,3,4-噻二唑 在 氯磺酸 作用下， 生成 2-chloro-5-[1,3,4]thiadiazol-2-yl-benzenesulfonyl chloride
  参考文献：
  名称：

  Maillard,J. et al., Bulletin de la Societe Chimique de France, 1966, p. 376 - 381

  摘要：

  DOI：
• 作为产物：
  描述：

  C₈H₇ClN₂O₂ 在 劳森试剂 作用下， 生成 2-苯基-1,3,4-噻二唑
  参考文献：
  名称：

  2-芳基-1,3,4-噻二唑的多核磁共振研究

  摘要：

  记录了芳基取代的 1,3,4-噻二唑的 1H、13C 和 15N 光谱。获得的结果与哈米特系数相关。将实验结果与 DFT 计算的化学位移进行比较。将所得结果与 1,3,4-恶二唑和 1,3,4-硒二唑的结果进行比较。版权所有 © 2012 John Wiley & Sons, Ltd.

  DOI：

  10.1002/mrc.3850

文献信息

• 화합물 및 이를 포함하는 유기 발광 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20210004849A

  公开（公告）日：2021-01-13

  본 명세서는 화학식 1의 화합물 및 이를 포함한 유기 발광 소자를 제공한다.

  本规范提供了化学式1的化合物以及包含它们的有机发光器件。
• [EN] NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS<br/>[FR] NOUVEAUX THIADIAZOLES ET OXADIAZOLES ET UTILISATION DE CEUX-CI COMME INHIBITEURS DE LA PHOSPHODIESTERASE DE TYPE 7
  申请人：WARNER LAMBERT CO

  公开号：WO2002028847A1

  公开（公告）日：2002-04-11

  The invention provides 1,3,4-thiadiazoles and 1,3,4-oxadiazoles having the following formula (I):in which, Y is S or O,R1 is alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, cycloalkenyl, aryl, heteroaryl or a polycyclic group, optionally substituted,R2 is alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, cycloalkenyl or aryl optionally substituted,R3 is X2-R'3, in which X2 is a binding group and R'3 is cycloalkyl, heterocycloalkyl, cycloalkenyl, aryl, heteroaryl, or a polycyclic group; optionally substituted,or their pharmaceutically acceptable derivatives,the process for their preparation and their use for the manufacture of a medicament for the treatment of disorders for which a treatment by a PDE7 inhibitor is relevant.

  本发明提供了具有以下式（I）的1,3,4-噻二唑和1,3,4-氧二唑：其中，Y是S或O，R1是烷基，烯基，炔基，环烷基，杂环烷基，环烯基，芳基，杂芳基或多环基，可选择性地取代，R2是烷基，烯基，炔基，环烷基，杂环烷基，环烯基或芳基，可选择性地取代，R3是X2-R'3，其中X2是连接基，R'3是环烷基，杂环烷基，环烯基，芳基，杂芳基或多环基；可选择性地取代，或其药学上可接受的衍生物，其制备方法及其用于制造用于治疗需要通过PDE7抑制剂进行治疗的疾病的药物。
• The Investigation of Some Substituted 1,3,4-Thiadiazoles
  作者：C. Ainsworth

  DOI：10.1021/ja01552a047

  日期：1958.10
• Pd/Cu-Catalyzed C–H Arylation of 1,3,4-Thiadiazoles with (Hetero)aryl Iodides, Bromides, and Triflates
  作者：Dipak D. Vachhani、Abhishek Sharma、Erik Van der Eycken

  DOI：10.1021/jo301401q

  日期：2012.10.5

  The direct C-H arylation of 1,3,4-thiadiazoles with a wide range of (hetero)aryl iodides, bromides, and triflates is described using a Pd/Cu-catalyzed protocol. The methodology is compatible with substrates possessing electron-donating or electron-withdrawing substituents and also tolerates sterically hindered aryl halides. The utility of the developed protocol is demonstrated by a one-pot C-H arylation-Suzuki coupling sequence.
• A KHSO4 promoted tandem synthesis of 1,3,4-thiadiazoles from thiohydrazides and DMF derivatives
  作者：Zongjie Gan、Binghua Tian、Jianyong Yuan、Dongzhi Ran、Lin Zhang、Gang Dong、Tao Pan、Yixin Zeng、Yu Yu

  DOI：10.1016/j.tetlet.2020.152195

  日期：2020.7

  An efficient, simple and environmentally benign method for the construction of 1,3,4-thiadiazole skeletons via the tandem coupling and cyclization of thiohydrazides with DMF derivatives in the presence of KHSO4 has been reported. This method reveals good reactivity and functional group tolerance, and a broad series of 1,3,4-thiadiazoles were obtained in moderate to good yields. (C) 2020 Elsevier Ltd. All rights reserved.