7-Hydroxy-4-oxo-2,3-dihydrothiochromene-2-carbonyl chloride | 1429126-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 7-Hydroxy-4-oxo-2,3-dihydrothiochromene-2-carbonyl chloride
• 英文别名: 7-hydroxy-4-oxo-2,3-dihydrothiochromene-2-carbonyl chloride
• CAS: 1429126-28-2
• 化学式: C₁₀H₇ClO₃S
• 分子量: 242.683
• InChiKey: GDEKAHLJDVWZRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-Hydroxy-4-oxo-2,3-dihydrothiochromene-2-carbonyl chloride 在 吡啶 、 硫酸 、 四丁基氟化铵 、 sodium hydride 、 potassium hydrogencarbonate 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 、 氢氟酸 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 0.17h， 生成 N,N-diethyl-11-(2-(18F)fluoranylethyl)-3-hydroxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
  参考文献：
  名称：

  Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel TSPO ligands based on the tetracyclic class of translocator protein (TSPO) ligands first described by Okubo et al. was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.057
• 作为产物：
  描述：

  3-羟基苯硫酚 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 7-Hydroxy-4-oxo-2,3-dihydrothiochromene-2-carbonyl chloride
  参考文献：
  名称：

  Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents

  摘要：

  A series of novel TSPO ligands based on the tetracyclic class of translocator protein (TSPO) ligands first described by Okubo et al. was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.057

文献信息

• Exploration of the structure–activity relationship of a novel tetracyclic class of TSPO ligands—Potential novel positron emitting tomography imaging agents
  作者：Dennis O’Shea、Rabia Ahmad、Erik Årstad、Michelle Avory、Wai-Fung Chau、Clare Durrant、Ella Hirani、Paul A. Jones、Imtiaz Khan、Sajinder K. Luthra、Dimitrios Mantzilas、Véronique Morisson-Iveson、Joanna Passmore、Edward G. Robins、Bo Shan、Harry Wadsworth、Sarah Walton、Yongjun Zhao、William Trigg

  DOI：10.1016/j.bmcl.2013.02.057

  日期：2013.4

  A series of novel TSPO ligands based on the tetracyclic class of translocator protein (TSPO) ligands first described by Okubo et al. was synthesised and evaluated as potential positron emitting tomography (PET) ligands for imaging TPSO in vivo. Fluorine-18 labelling of the molecules was achieved using direct radiolabelling or synthon based labelling approaches. Several of the ligands prepared have promising profiles as potential TSPO PET imaging ligands. (C) 2013 Elsevier Ltd. All rights reserved.