8-iodo-6-methyl-1H-3,1-benzoxazine-2,4-dione | 320740-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 8-iodo-6-methyl-1H-3,1-benzoxazine-2,4-dione
• CAS: 320740-18-9
• 化学式: C₉H₆INO₃
• 分子量: 303.056
• InChiKey: JSHNPFRJYVJJHS-UHFFFAOYSA-N

物化性质

• 密度：
  1.959±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.07
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(甲硫基)-1,4,5,6-四氢嘧啶 、 8-iodo-6-methyl-1H-3,1-benzoxazine-2,4-dione 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以65%的产率得到10-iodo-8-methyl-1,2,3,4-tetrahydropyrimidino[2,1-b]quinazolin-6-one
  参考文献：
  名称：

  The Synthesis of C2-Symmetric and Axially Chiral Compounds for Recognition and Catalysis

  摘要：

  Axially chiral amidines and guanidines. some possessing C-2-symmetry, have been targeted as potential chiral catalysts for reactions of alpha,beta -unsaturated carboxylic acids or esters. The key step in each synthesis required the coupling of two sterically demanding aromatic compounds to form atropisomeric biaryl species. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00803-6
• 作为产物：
  描述：

  2-氨基-5-甲基苯甲酸 在 碘 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 72.0h， 生成 8-iodo-6-methyl-1H-3,1-benzoxazine-2,4-dione
  参考文献：
  名称：

  The Synthesis of C2-Symmetric and Axially Chiral Compounds for Recognition and Catalysis

  摘要：

  Axially chiral amidines and guanidines. some possessing C-2-symmetry, have been targeted as potential chiral catalysts for reactions of alpha,beta -unsaturated carboxylic acids or esters. The key step in each synthesis required the coupling of two sterically demanding aromatic compounds to form atropisomeric biaryl species. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00803-6

文献信息

• The Synthesis of C2-Symmetric and Axially Chiral Compounds for Recognition and Catalysis
  作者：John Clews、Anthony D.M. Curtis、Hugh Malkin

  DOI：10.1016/s0040-4020(00)00803-6

  日期：2000.10

  Axially chiral amidines and guanidines. some possessing C-2-symmetry, have been targeted as potential chiral catalysts for reactions of alpha,beta -unsaturated carboxylic acids or esters. The key step in each synthesis required the coupling of two sterically demanding aromatic compounds to form atropisomeric biaryl species. (C) 2000 Elsevier Science Ltd. All rights reserved.