2-(3-氟苯基)-1,3,4-恶二唑 | 5378-32-5

• 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-(3-氟苯基)-1,3,4-恶二唑
• 英文名称: 2-(3-fluorophenyl)-1,3,4-oxadiazole
• CAS: 5378-32-5
• 化学式: C₈H₅FN₂O
• 分子量: 164.139
• InChiKey: LXPMVAYGVNNNIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  38.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间氟苯甲酸 、 (异氰亚氨基)三苯基膦 以 氯仿 为溶剂， 反应 12.25h， 以82.2%的产率得到2-(3-氟苯基)-1,3,4-恶二唑
  参考文献：
  名称：

  (N-Isocyanimino)triphenylphosphorane as an Efficient Reagent for the Synthesis of 1,3,4-Oxadiazoles from 3-Substituted Benzoic Acid Derivatives

  摘要：

  The reaction of 3-substituted benzoic acid derivatives with (N-isocyanimino)triphenylphosphorane proceeds smoothly at room temperature to afford corresponding 1,3,4-oxadiazoles via an intramolecular aza-Wittig reaction in excellent yields under neutral conditions.

  DOI：

  10.1080/10426500802705537

文献信息

• Novel series of 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides as potent and selective dipeptidyl peptidase IV inhibitors
  作者：Aiko Nitta、Hideaki Fujii、Satoshi Sakami、Mikiya Satoh、Junko Nakaki、Shiho Satoh、Hiroki Kumagai、Hideki Kawai

  DOI：10.1016/j.bmcl.2012.09.099

  日期：2012.12

  A series of novel 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides were investigated as dipeptidyl peptidase IV (DPP-4) inhibitors. Introduction of a 4-phenylthiazol-2-yl group showed highly potent DPP-4 inhibitory activity. Among various derivatives, (3R)-3-amino-N-(4-(4-phenylthiazol-2-yl)-tetrahydro-2H-thiopyran-4-yl)-4-(2,4,5-trifluorophenyl)butanamide 1,1-dioxide (30) reduced blood glucose excursion in an oral glucose tolerance test by oral administration. (C) 2012 Elsevier Ltd. All rights reserved.
• Maillard,J. et al., Bulletin de la Societe Chimique de France, 1966, p. 376 - 381
  作者：Maillard,J. et al.

  DOI：——

  日期：——
• COMPOUNDS
  申请人：UCL BUSINESS LTD

  公开号：US20210171475A1

  公开（公告）日：2021-06-10

  A compound for use in the treatment of a disease ameliorated by the inhibition of Notum of formula (I): (I)
• (<i>N</i>-Isocyanimino)triphenylphosphorane as an Efficient Reagent for the Synthesis of 1,3,4-Oxadiazoles from 3-Substituted Benzoic Acid Derivatives
  作者：Ali Ramazani、Ali Souldozi

  DOI：10.1080/10426500802705537

  日期：2009.11.24

  The reaction of 3-substituted benzoic acid derivatives with (N-isocyanimino)triphenylphosphorane proceeds smoothly at room temperature to afford corresponding 1,3,4-oxadiazoles via an intramolecular aza-Wittig reaction in excellent yields under neutral conditions.

表征谱图