(S)-2,4-Dimethyl-1,1-bis-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (S)-2,4-Dimethyl-1,1-bis-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
• 英文别名: (4S)-2,4-dimethyl-1,1-bis[(4-methylphenyl)methyl]-4H-pyrazino[2,1-b]quinazoline-3,6-dione
• 化学式: C₂₉H₂₉N₃O₂
• 分子量: 451.568
• InChiKey: BFKLWAGJOMCJHW-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲基苄溴 、 (4S)-2,4-dimethyl-2,4-dihydro-(1H)-pyrazino<2,1-b>quinazoline-3,6-dione 在 N,N-二甲基丙烯基脲 、 lithium hexamethyldisilazane 作用下， 生成 (S)-2,4-Dimethyl-1,1-bis-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
  参考文献：
  名称：

  Regio- and diastereoselective dialkylation of (4S)-2,4-dimethyl-2,4-dihydro-1H-pirazino[2,1-b]quinazoline-3,6-dione

  摘要：

  Dialkylation of the title compound occurs regioselectively at C-1. Addition of N,N'-dimethyl-N,N'-propylene urea (DMPU) permits the one-pot synthesis of 1,1-dialkylation products in good yields. The asymmetric induction of the stereogenic C-4 center directs the first and the second alkylation steps. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10082-5

文献信息

• Regio- and diastereoselective dialkylation of (4S)-2,4-dimethyl-2,4-dihydro-1H-pirazino[2,1-b]quinazoline-3,6-dione
  作者：Sonsoles Martín-Santamaría、Modesta Espada、Carmen Avendaño

  DOI：10.1016/s0040-4020(97)10082-5

  日期：1997.12

  Dialkylation of the title compound occurs regioselectively at C-1. Addition of N,N'-dimethyl-N,N'-propylene urea (DMPU) permits the one-pot synthesis of 1,1-dialkylation products in good yields. The asymmetric induction of the stereogenic C-4 center directs the first and the second alkylation steps. (C) 1997 Elsevier Science Ltd.