dimethyl 6-phenyl-2-(phenylimino)-2H-thiopyran-3,4-dicarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl 6-phenyl-2-(phenylimino)-2H-thiopyran-3,4-dicarboxylate
• 英文别名: Dimethyl 6-phenyl-2-phenyliminothiopyran-3,4-dicarboxylate；dimethyl 6-phenyl-2-phenyliminothiopyran-3,4-dicarboxylate
• 化学式: C₂₁H₁₇NO₄S
• 分子量: 379.436
• InChiKey: USHVAVYMTGDIJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  90.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  硫代异氰酸苯酯 、 2-溴苯乙酮 、 丁炔二酸二甲酯 在 三苯基膦 、 三乙胺 作用下， 以 水 为溶剂， 反应 4.75h， 以80%的产率得到dimethyl 6-phenyl-2-(phenylimino)-2H-thiopyran-3,4-dicarboxylate
  参考文献：
  名称：

  Synthesis of 2H-Thiopyrans via Multicomponent Reactions in Water

  摘要：

  A series of 2H-thiopyran derivatives has been synthesized via one-pot multicomponent reactions of dialkyl acetylenedicarboxylates, arylisothiocyanates, and -bromoketones in the presence of triphenylphosphine in water under both conventional heating and microwave irradiation. The yields obtained under microwave irradiation were superior and the reaction times were reduced in comparison with conventional heating.

  DOI：

  10.1055/s-0033-1339678

文献信息

• Synthesis of 2H-Thiopyrans via Multicomponent Reactions in Water
  作者：Faramarz Rostami-Charati

  DOI：10.1055/s-0033-1339678

  日期：——

  A series of 2H-thiopyran derivatives has been synthesized via one-pot multicomponent reactions of dialkyl acetylenedicarboxylates, arylisothiocyanates, and -bromoketones in the presence of triphenylphosphine in water under both conventional heating and microwave irradiation. The yields obtained under microwave irradiation were superior and the reaction times were reduced in comparison with conventional heating.