5,10-dihydro-2H-benzo [6,7]thiochromeno[2,3-d] [1,3]thiazole-2,5,10-trione | 1018037-80-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,10-dihydro-2H-benzo [6,7]thiochromeno[2,3-d] [1,3]thiazole-2,5,10-trione
• 英文别名: 5,10-dihydro-2H-benzo[6,7]thiochromeno[2,3-d][1,3]thiazole-2,5,10-trione；Les-3377；11,15-Dithia-13-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,12,16-hexaene-2,9,14-trione
• CAS: 1018037-80-3
• 化学式: C₁₄H₅NO₃S₂
• 分子量: 299.331
• InChiKey: GXCHGNRASGQSTG-UHFFFAOYSA-N

物化性质

• 沸点：
  472.2±55.0 °C(Predicted)
• 密度：
  1.76±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-ethoxymethylene-4-thioxothiazolidin-2-one 、 1,4-萘醌 在 对苯二酚 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以81%的产率得到5,10-dihydro-2H-benzo [6,7]thiochromeno[2,3-d] [1,3]thiazole-2,5,10-trione
  参考文献：
  名称：

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone as Versatile Building Block for Novel Biorelevant Small Molecules with Thiopyrano[2,3-d][1,3]thiazole Core

  摘要：

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone was studied as versatile core building block in the synthesis of new thiopyrano[2,3-d]thiazole derivatives relevant for medicinal chemistry purposes under hetero-Diels-Alder reaction conditions. Promising compounds (6, 10) were identified among synthesized series with high antitumor and moderate antiviral activity. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.800552

文献信息

• 5-Ethoxymethylidene-4-thioxo-2-thiazolidinone as Versatile Building Block for Novel Biorelevant Small Molecules with Thiopyrano[2,3-<i>d</i>][1,3]thiazole Core
  作者：Dmytro Atamanyuk、Borys Zimenkovsky、Vasyl Atamanyuk、Roman Lesyk

  DOI：10.1080/00397911.2013.800552

  日期：2014.1.17

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone was studied as versatile core building block in the synthesis of new thiopyrano[2,3-d]thiazole derivatives relevant for medicinal chemistry purposes under hetero-Diels-Alder reaction conditions. Promising compounds (6, 10) were identified among synthesized series with high antitumor and moderate antiviral activity. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]