benzyl 4-[4-[(6R)-6-(azidomethyl)-2-oxo-1,3-oxazinan-3-yl]-2-fluorophenyl]piperazine-1-carboxylate | 213263-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: benzyl 4-[4-[(6R)-6-(azidomethyl)-2-oxo-1,3-oxazinan-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
• CAS: 213263-06-0
• 化学式: C₂₃H₂₅FN₆O₄
• 分子量: 468.488
• InChiKey: AFYHEOQIBXVBSJ-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  硫代乙酸 、 benzyl 4-[4-[(6R)-6-(azidomethyl)-2-oxo-1,3-oxazinan-3-yl]-2-fluorophenyl]piperazine-1-carboxylate 生成 benzyl 4-[4-[(6R)-6-(acetamidomethyl)-2-oxo-1,3-oxazinan-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Enantiospecific synthesis of 6-substituted N-aryl-1,3-oxazin-2-ones

  摘要：

  A novel and facile synthesis of B-substituted chiral N-aryl-1,3-oxazin-2-one derivatives has been achieved starting from readily available (S)-aspartic acid. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01364-1
• 作为产物：
  描述：

  N-carbobenzoxy-3-fluoro-4-(N-carbobenzoxypiperazin-1-yl)aniline 在 sodium azide 、 oxonium 、 sodium hydride 、 氯化铵 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 为溶剂， 生成 benzyl 4-[4-[(6R)-6-(azidomethyl)-2-oxo-1,3-oxazinan-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Enantiospecific synthesis of 6-substituted N-aryl-1,3-oxazin-2-ones

  摘要：

  A novel and facile synthesis of B-substituted chiral N-aryl-1,3-oxazin-2-one derivatives has been achieved starting from readily available (S)-aspartic acid. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01364-1

文献信息

• Enantiospecific synthesis of 6-substituted N-aryl-1,3-oxazin-2-ones
  作者：Braj B. Lohray、Sundarababu Baskaran、B. Yadi Reddy、K. Srinivas Rao

  DOI：10.1016/s0040-4039(98)01364-1

  日期：1998.9

  A novel and facile synthesis of B-substituted chiral N-aryl-1,3-oxazin-2-one derivatives has been achieved starting from readily available (S)-aspartic acid. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.