ethyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate | 69437-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: ethyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
• 英文别名: 2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene；2-(2-hydroxy-benzylideneamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester；Ethyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate；ethyl 2-[(2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS: 69437-96-3
• 化学式: C₁₈H₁₉NO₃S
• mdl: MFCD00397164
• 分子量: 329.42
• InChiKey: LXHXNQDRGGBIBQ-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C(Solv: ethanol (64-17-5))
• 沸点：
  564.4±50.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate 、 neodymium(III) nitrate 以 乙醇 为溶剂， 以58%的产率得到[Nd(III)(2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene)2(NO3)3]
  参考文献：
  名称：

  Synthesis, characterization, thermal stability, reactivity, and antimicrobial properties of some novel lanthanide(III) complexes of 2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene

  摘要：

  Two series of new lanthanide(III) complexes of the type [Ln(HSAT)(2)(H2O)(3)Cl-3] and [Ln(HSAT)(2)(NO3)(3)], where Ln = La, Pr, Nd, Sm, Eu, Gd, Dy, Tin, Yb, or Lu, and HSAT = 2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene, are synthesized by the reaction of LnCl(3) or Ln(NO3)(3) with the title ligand in ethanol. The complexes are characterized by elemental analysis, magnetic moment values, molar conductivity, IR, UV-Vis, and H-1 NMR spectral data. Two selected complexes are subject to thermogravimetric analysis, and their kinetic parameters are estimated using Coats-Redfern equation. The complex [La(HSAT)(2)(NO3)(3)] underwent facile transesterification when refluxed in methanol. The ligand and some selected complexes are screened for their antimicrobial properties. Antimicrobial activities of the ligand increase on coordination with the metal ion.

  DOI：

  10.1134/s1070328406080124
• 作为产物：
  描述：

  2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯 、 水杨醛 在 硫酸 作用下， 以 乙醇 为溶剂， 以75%的产率得到ethyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
  参考文献：
  名称：

  Mobinikhaledi; Kalhor; Taheri, Asian Journal of Chemistry, 2010, vol. 22, # 9, p. 7399 - 7404

  摘要：

  DOI：

文献信息

• Synthesis, characterization, thermal stability, reactivity, and antimicrobial properties of some novel lanthanide(III) complexes of 2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene
  作者：K. Mohanan、S. N. Devi

  DOI：10.1134/s1070328406080124

  日期：2006.8

  Two series of new lanthanide(III) complexes of the type [Ln(HSAT)(2)(H2O)(3)Cl-3] and [Ln(HSAT)(2)(NO3)(3)], where Ln = La, Pr, Nd, Sm, Eu, Gd, Dy, Tin, Yb, or Lu, and HSAT = 2-(N-salicylideneamino)-3-carboxyethyl-4,5,6,7-tetrahydrobenzo[b]thiophene, are synthesized by the reaction of LnCl(3) or Ln(NO3)(3) with the title ligand in ethanol. The complexes are characterized by elemental analysis, magnetic moment values, molar conductivity, IR, UV-Vis, and H-1 NMR spectral data. Two selected complexes are subject to thermogravimetric analysis, and their kinetic parameters are estimated using Coats-Redfern equation. The complex [La(HSAT)(2)(NO3)(3)] underwent facile transesterification when refluxed in methanol. The ligand and some selected complexes are screened for their antimicrobial properties. Antimicrobial activities of the ligand increase on coordination with the metal ion.
• Mobinikhaledi; Kalhor; Taheri, Asian Journal of Chemistry, 2010, vol. 22, # 9, p. 7399 - 7404
  作者：Mobinikhaledi、Kalhor、Taheri

  DOI：——

  日期：——