6-triphenylmethylmercaptohexanoic acid trop-3α-yl ester | 205829-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 6-triphenylmethylmercaptohexanoic acid trop-3α-yl ester
• CAS: 205829-56-7
• 化学式: C₃₃H₃₉NO₂S
• 分子量: 513.744
• InChiKey: GMDGQIHSJMBTNY-YHTXFFTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.44
• 重原子数：
  37.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-triphenylmethylmercaptohexanoic acid trop-3α-yl ester 在 硫化氢 、 mercury(II) diacetate 、 三氟乙酸 作用下， 生成 6-mercaptohexanoic acid trop-3α-yl ester
  参考文献：
  名称：

  Novel rhenium complexes derived from α-tropanol as potential ligands for the dopamine transporter

  摘要：

  A series of rhenium complexes was synthesized as model compounds for the corresponding radioactive technetium-99m complexes for preliminary biological investigations. In a '3 + 1' mixed-ligand approach the tropanol molecule was linked with the metal core through a omega-mercaptoester group as monodentate ligand. Bis(thioethyl)sulphide was used as the tridentate dithiol ligand to block the remaining free coordination sites. The omega-mercaptoesters were synthesized via the trityl-protected precursors. Binding tests on the cloned human dopamine transporter revealed moderate binding affinities for some of the prepared compounds. The complexes were characterised by X-ray and the lipophilicity as well as pK(a) values were determined. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00144-8
• 作为产物：
  描述：

  6-氯己酰氯 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 6-triphenylmethylmercaptohexanoic acid trop-3α-yl ester
  参考文献：
  名称：

  Novel rhenium complexes derived from α-tropanol as potential ligands for the dopamine transporter

  摘要：

  A series of rhenium complexes was synthesized as model compounds for the corresponding radioactive technetium-99m complexes for preliminary biological investigations. In a '3 + 1' mixed-ligand approach the tropanol molecule was linked with the metal core through a omega-mercaptoester group as monodentate ligand. Bis(thioethyl)sulphide was used as the tridentate dithiol ligand to block the remaining free coordination sites. The omega-mercaptoesters were synthesized via the trityl-protected precursors. Binding tests on the cloned human dopamine transporter revealed moderate binding affinities for some of the prepared compounds. The complexes were characterised by X-ray and the lipophilicity as well as pK(a) values were determined. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00144-8