| 1412860-89-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• CAS: 1412860-89-9
• 化学式: C₁₁H₅Cl₂NO₃S
• 分子量: 302.138
• InChiKey: PZSQEESSDWBNLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 1,3-丙二醇 在 sulfo cation exchanger FIBAN K-1 作用下， 以 苯 为溶剂， 以84%的产率得到4-(1,3-dioxan-2-yl)phenyl 4,5-dichloroisothiazole-3-carboxylate
  参考文献：
  名称：

  Synthesis of 2-R-1,3-dioxanes, derivatives of functionally substituted aldehydes of vanillin series

  摘要：

  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.

  DOI：

  10.1134/s1070428013020085

文献信息

• 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.
• 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