(1R,4S)-2,4-Dimethyl-1-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione | 194925-95-6

• 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: (1R,4S)-2,4-Dimethyl-1-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
• 英文别名: (1R,4S)-2,4-dimethyl-1-[(4-methylphenyl)methyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
• CAS: 194925-95-6
• 化学式: C₂₁H₂₁N₃O₂
• 分子量: 347.417
• InChiKey: OHYQIFOQVMFTNP-KBXCAEBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴甲苯 、 (1R,4S)-2,4-Dimethyl-1-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione 在 lithium hexamethyldisilazane 作用下， 生成 (1S,4S)-1-Benzyl-2,4-dimethyl-1-(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
• 作为产物：
  描述：

  (4S)-2,4-dimethyl-2,4-dihydro-(1H)-pyrazino<2,1-b>quinazoline-3,6-dione 、 alkaline earth salt of/the/ methylsulfuric acid 在 lithium hexamethyldisilazane 作用下， 生成 (1S,4S)-2,4-Dimethyl-1-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione 、 (1R,4S)-2,4-Dimethyl-1-(4-methyl-benzyl)-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
  参考文献：
  名称：

  Regio- and Diastereoselective Alkylation of 2-Substituted 2,4-Dihydro-1H- pyrazino[2,1-b]quinazoline-3,6-diones

  摘要：

  DOI：

  10.1021/jo970037a

文献信息

• Regio- and Diastereoselective Alkylation of 2-Substituted 2,4-Dihydro-1<b><i>H</i></b>- pyrazino[2,1-<b><i>b</i></b>]quinazoline-3,6-diones
  作者：Sonsoles Martín-Santamaría、Félix L. Buenadicha、Modesta Espada、Mónica Söllhuber、Carmen Avendaño

  DOI：10.1021/jo970037a

  日期：1997.9.1
• 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.