4-(2-thienyl)-1H-pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-thienyl)-1H-pyrazole
• 英文别名: 4-(thiophen-2-yl)-1H-pyrazole；4-thiophen-2-yl-1H-pyrazole
• 化学式: C₇H₆N₂S
• mdl: MFCD01859938
• 分子量: 150.204
• InChiKey: KSBRNWDGHQJMGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 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：
  56.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-thienyl)-1H-pyrazole 、 碘甲烷 以89%的产率得到
  参考文献：
  名称：

  LILJEFORS S.; GRONOWITZ S., CHEM. SCR., 1980, 15, NO 3, 102-109

  摘要：

  DOI：
• 作为产物：
  描述：

  1-[(4-methylphenyl)sulfonyl]-4-(2-thienyl)-1H-pyrazole 在 甲醇 、 sodium hydroxide 作用下， 反应 5.0h， 以88%的产率得到4-(2-thienyl)-1H-pyrazole
  参考文献：
  名称：

  Tuning the Extended Structure and Electronic Properties of Gold(I) Thienyl Pyrazolates

  摘要：

  A series of thienyl pyrazole proligands and gold(l) thienyl pyrazolate cyclic trinuclear complexes (CTCs) have been synthesized. The relationship between the structure and emission properties of bridging thienyl pyrazolates within gold(I) cyclic trinuclear complexes suggests that the nature of dual emission is sensitive to ligand conjugation length. Density functional theory has been used to support the assignment of metal-sensitized, ligand-localized phosphorescence from monothienyl complexes, while low-lying, ligand-localized LUMOs present in bithienyl systems prohibit metal-sensitized phosphorescence. Soluble n-hexyl derivatives have been synthesized to explore the electrochemical properties of gold(I) thienyl pyrazolates CTCs, and conductive electropolymerized thin films were realized.

  DOI：

  10.1021/ic4031365

文献信息

• [EN] COMPOUNDS AND METHODS<br/>[FR] COMPOSES ET METHODES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2003051906A2

  公开（公告）日：2003-06-26

  Disclosed are compounds that are non-peptide, reversible inhibitors of type 2 methionine aminopeptidase, having the formula: wherein the formula variables are as defined herein. Also disclosed is the use of such compounds in treating conditions mediated by angiogenesis, such as cancer, haemangioma, proliferative retinopathy, rheumatoid arthritis, atherosclerotic neovascularization, psoriasis, ocular neovascularization and obesity.