tert-butyl N-(dimethylaminomethylidenecarbamothioyl)carbamate | 905300-55-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-(dimethylaminomethylidenecarbamothioyl)carbamate
• CAS: 905300-55-2
• 化学式: C₉H₁₇N₃O₂S
• 分子量: 231.319
• InChiKey: OFASWJMQAMRJPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  86
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl N-(dimethylaminomethylidenecarbamothioyl)carbamate 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 34.0h， 生成
  参考文献：
  名称：

  Efficient synthesis of new tetradentate ligands with potential applications for 64Cu PET-imaging

  摘要：

  We wish to report the synthesis of new tetradentate ligands in less than 3 h in good to excellent yields from a commercially available compound using microwave-assisted technology. First tests of complexation showed a high ability of these ligands to chelate Cu-64(II) in very diluted medium. These new systems have the potential to be used for nuclear medicine and particularly for PET-imaging. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.072
• 作为产物：
  描述：

  Dimethylaminomethylen-thioharnstoff 、 二碳酸二叔丁酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以100%的产率得到tert-butyl N-(dimethylaminomethylidenecarbamothioyl)carbamate
  参考文献：
  名称：

  Efficient synthesis of new tetradentate ligands with potential applications for 64Cu PET-imaging

  摘要：

  We wish to report the synthesis of new tetradentate ligands in less than 3 h in good to excellent yields from a commercially available compound using microwave-assisted technology. First tests of complexation showed a high ability of these ligands to chelate Cu-64(II) in very diluted medium. These new systems have the potential to be used for nuclear medicine and particularly for PET-imaging. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.072