2-benzooxazol-2-yl-3-dimethylamino-acrylic acid ethyl ester | 71240-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-benzooxazol-2-yl-3-dimethylamino-acrylic acid ethyl ester
• 英文别名: Ethyl 2-(1,3-benzoxazol-2-yl)-3-(dimethylamino)prop-2-enoate
• CAS: 71240-24-9
• 化学式: C₁₄H₁₆N₂O₃
• 分子量: 260.293
• InChiKey: QDBVFFAYFJDTPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzooxazol-2-yl-3-dimethylamino-acrylic acid ethyl ester 、 甲基肼 反应 0.5h， 以93%的产率得到Ethyl 2-(benzoxazol-2-yl)-3-(N'-methylhydrazino)acrylate
  参考文献：
  名称：

  Meddad; Rahmouni; Derdour, Synthesis, 2001, # 4, p. 581 - 584

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(1,3-苯并恶唑-2-基)乙酸乙酯 、 N,N-二甲基甲酰胺二乙基缩醛 反应 0.25h， 以83%的产率得到2-benzooxazol-2-yl-3-dimethylamino-acrylic acid ethyl ester
  参考文献：
  名称：

  A new route to α-hetero β-enamino esters using a mild and convenient solvent-free process assisted by focused microwave irradiation

  摘要：

  New alpha-hetero beta-enamino esters 5 (X - NH, O, S) are obtained in good to excellent yields by transamination reactions from ethyl 3-dimethylamino acrylate 2(a-c) and various volatile amines 3(a-e) using solvent-free conditions assisted by focused microwave irradiation. Most of the alpha-hetero beta-enamino ester derivatives 3 present a (E)-s-cis/trans conformation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01894-2

文献信息

• Kato,T. et al., Chemical and pharmaceutical bulletin, 1979, vol. 27, p. 1186 - 1189
  作者：Kato,T. et al.

  DOI：——

  日期：——
• A new route to α-hetero β-enamino esters using a mild and convenient solvent-free process assisted by focused microwave irradiation
  作者：Zohra Dahmani、Mustapha Rahmouni、Richard Brugidou、Jean Pierre Bazureau、Jack Hamelin

  DOI：10.1016/s0040-4039(98)01894-2

  日期：1998.11

  New alpha-hetero beta-enamino esters 5 (X - NH, O, S) are obtained in good to excellent yields by transamination reactions from ethyl 3-dimethylamino acrylate 2(a-c) and various volatile amines 3(a-e) using solvent-free conditions assisted by focused microwave irradiation. Most of the alpha-hetero beta-enamino ester derivatives 3 present a (E)-s-cis/trans conformation. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Meddad; Rahmouni; Derdour, Synthesis, 2001, # 4, p. 581 - 584
  作者：Meddad、Rahmouni、Derdour、Bazureau、Hamelin

  DOI：——

  日期：——