2-(2-氧代-1,3-苯并噻唑-3-基)乙酸甲酯 | 61516-70-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(2-氧代-1,3-苯并噻唑-3-基)乙酸甲酯
• 英文名称: Methyl (2-oxobenzothiazolin-3-yl)acetate
• 英文别名: (2-oxo-benzothiazol-3-yl)-acetic acid methyl ester；(2-Oxo-2,3-dihydrobenzothiazol-3-yl)essigsaeure-methylester；methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
• CAS: 61516-70-9
• 化学式: C₁₀H₉NO₃S
• mdl: MFCD01074874
• 分子量: 223.252
• InChiKey: IQZZVOQKLNCGTK-UHFFFAOYSA-N

物化性质

• 熔点：
  116-118 °C(Solv: ethanol (64-17-5))
• 沸点：
  371.6±44.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-氧代-1,3-苯并噻唑-3-基)乙酸甲酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 144.0h， 以76%的产率得到2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetohydrazide
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of some (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones

  摘要：

  Fifteen new (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones were synthesized and their structures were elucidated by NMR and elemental analysis. Their anticonvulsant activity was tested by a pentylenetetrazole induced seizure test. Compounds 4e and 4h were found to be the most promising among the others. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00110-x
• 作为产物：
  描述：

  2-羟基苯并噻唑 、 氯乙酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以72%的产率得到2-(2-氧代-1,3-苯并噻唑-3-基)乙酸甲酯
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of some (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones

  摘要：

  Fifteen new (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones were synthesized and their structures were elucidated by NMR and elemental analysis. Their anticonvulsant activity was tested by a pentylenetetrazole induced seizure test. Compounds 4e and 4h were found to be the most promising among the others. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00110-x

文献信息

• US3993468A
  申请人：——

  公开号：US3993468A

  公开（公告）日：1976-11-23
• US4049419A
  申请人：——

  公开号：US4049419A

  公开（公告）日：1977-09-20
• Synthesis and anticonvulsant activity of some (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones
  作者：Bilge Çakir、Engin Yildirim、Taner Ercanli、Kevser Erol、M.Fethi Sahin

  DOI：10.1016/s0014-827x(99)00110-x

  日期：1999.11

  Fifteen new (2/4-substituted)benzaldehyde (2-oxobenzothiazolin-3-yl)acetohydrazones were synthesized and their structures were elucidated by NMR and elemental analysis. Their anticonvulsant activity was tested by a pentylenetetrazole induced seizure test. Compounds 4e and 4h were found to be the most promising among the others. (C) 1999 Elsevier Science S.A. All rights reserved.