2-Ethoxy-4-formylphenyl 4,5-dichloro-3-isothiazolecarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-Ethoxy-4-formylphenyl 4,5-dichloro-3-isothiazolecarboxylate
• 英文别名: (2-ethoxy-4-formylphenyl) 4,5-dichloro-1,2-thiazole-3-carboxylate
• 化学式: C₁₃H₉Cl₂NO₄S
• mdl: MFCD05258249
• 分子量: 346.191
• InChiKey: JIQAPKULDMKWJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  93.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-氯-1,2-丙二醇 、 2-Ethoxy-4-formylphenyl 4,5-dichloro-3-isothiazolecarboxylate 在 FIBAN K-1 cation exchanger 作用下， 以 苯 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Synthesis of 1,3-dioxolanes from substituted benzaldehydes of the vanillin series

  摘要：

  Condensation of substituted benzaldehydes of the vanillin series with propane-1,2-diol and 3-chloropropane-1,2-diol in boiling benzene in the presence of FIBAN K-1 sulfonated cation exchanger as catalyst gave the corresponding substituted 1,3-dioxolanes.

  DOI：

  10.1134/s1070363212090149
• 作为产物：
  描述：

  乙基香兰素 、 4,5-dichloroisothiazole-3-carbonyl chloride 在 吡啶 作用下， 以 乙醚 为溶剂， 以81%的产率得到2-Ethoxy-4-formylphenyl 4,5-dichloro-3-isothiazolecarboxylate
  参考文献：
  名称：

  摘要：

  Previously unknown esters 1b-14b were prepared by reaction of cetyl alcohol la, terpene alcohols 2a-6a, sterols 7a-11a, and plant phenols 12a-14a with 4,5-dichloroisothiazol-3-carboxylic acid chloride.

  DOI：

  10.1023/a:1024865931052

文献信息

• Synthesis of 2-R-1,3-dioxanes, derivatives of functionally substituted aldehydes of vanillin series
  作者：E. A. Dikusar、V. I. Potkin、T. D. Zvereva、N. A. Zhukovskaya、S. K. Petkevich、A. S. Pavlyuchenkova、M. Yu. Murashova、A. P. Polikarpov、A. A. Shunkevich、A. P. Yuvchenko、R. M. Zolotar’

  DOI：10.1134/s1070428013020085

  日期：2013.2

  By the condensation of substituted aldehydes of vanillin series with 1,3-propanediol in boiling benzene in the presence of sulfo cation exchanger FIBAN K-1 as catalyst functionally 2-R-substituted 1,3-dioxanes were synthesized.
• Synthesis of Alkaloid Analogs Containing Isoxazole and Isothiazole Fragments
  作者：S. K. Petkevich、A. V. Kletskov、A. P. Kadutskii、E. A. Dikusar、N. G. Kozlov、V. I. Potkin

  DOI：10.1134/s1070428018120126

  日期：2018.12

  Three-component cascade cyclocondensation of naphthalen-2-amine with cyclic -dicarbonyl compounds and isoxazole- or isothiazolecarbaldehydes afforded new structural analogs of alkaloids containing isoxazole and isothiazole fragments.
• Catalytic Synthesis of 1,2-Azole and Pyridine Derivatives of 1,8-Dioxooctahydroxanthenes Using FIBAN K-1 Fibrous Sulfonic Cation Exchanger
  作者：E. A. Akishina、E. A. Dikusar、A. P. Polikarpov、K. A. Alekseeva、D. I. Menshikova、P. V. Kurman、V. I. Potkin

  DOI：10.1134/s1070363223030027

  日期：2023.3
• ——
  作者：E. A. Dikusar、N. I. Nechai、V. I. Potkin、R. V. Kaberdin、N. G. Kozlov、N. V. Kovganko

  DOI：10.1023/a:1024865931052

  日期：——

  Previously unknown esters 1b-14b were prepared by reaction of cetyl alcohol la, terpene alcohols 2a-6a, sterols 7a-11a, and plant phenols 12a-14a with 4,5-dichloroisothiazol-3-carboxylic acid chloride.
• Synthesis of 1,3-dioxolanes from substituted benzaldehydes of the vanillin series
  作者：E. A. Dikusar、V. I. Potkin、T. D. Zvereva、N. A. Zhukovskaya、Yu. S. Zubenko、A. V. Kletskov、R. M. Zolotar’、O. P. Chepik

  DOI：10.1134/s1070363212090149

  日期：2012.9

  Condensation of substituted benzaldehydes of the vanillin series with propane-1,2-diol and 3-chloropropane-1,2-diol in boiling benzene in the presence of FIBAN K-1 sulfonated cation exchanger as catalyst gave the corresponding substituted 1,3-dioxolanes.