(S)-(O-ethyl carbonothioic) (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-methoxyphenyl)propanoic thioanhydride | 1180130-18-0

• 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: (S)-(O-ethyl carbonothioic) (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-methoxyphenyl)propanoic thioanhydride
• CAS: 1180130-18-0
• 化学式: C₂₁H₁₉NO₅S₂
• 分子量: 429.518
• InChiKey: QHPZWWBPOKBKPU-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  72.91
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-(O-ethyl carbonothioic) (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-methoxyphenyl)propanoic thioanhydride 以 乙酸乙酯 为溶剂， 反应 1.0h， 以436 mg的产率得到dithiocarbonic acid S-[1-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-methoxyphenyl)-ethyl] ester O-ethyl ester
  参考文献：
  名称：

  Functional Primary Amines and Diamines from α-Aminoacids. A Concise Route to Substituted 2-Aminotetralins

  摘要：

  S-Phthalimidomethyl xanthates derived from various alpha-amino acids add efficiently to a range of unactivated alkenes to give a variety of highly functionalized, protected amines. In the case of phenylalanine and tyrosine derived xanthates, the adducts can be further converted into the rare 4-substituted 2-aminotetralines by a radical ring closure onto the aromatic ring.

  DOI：

  10.1021/ol901263t
• 作为产物：
  描述：

  potassium ethyl xanthogenate 、 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-methoxyphenyl)-propionic acid 以 丙酮 为溶剂， 反应 1.0h， 生成 (S)-(O-ethyl carbonothioic) (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(4-methoxyphenyl)propanoic thioanhydride
  参考文献：
  名称：

  Functional Primary Amines and Diamines from α-Aminoacids. A Concise Route to Substituted 2-Aminotetralins

  摘要：

  S-Phthalimidomethyl xanthates derived from various alpha-amino acids add efficiently to a range of unactivated alkenes to give a variety of highly functionalized, protected amines. In the case of phenylalanine and tyrosine derived xanthates, the adducts can be further converted into the rare 4-substituted 2-aminotetralines by a radical ring closure onto the aromatic ring.

  DOI：

  10.1021/ol901263t