2,5-二甲基-1,3-苯并噻唑-4,7-二酮 | 650635-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,5-二甲基-1,3-苯并噻唑-4,7-二酮
• 英文名称: 4,7-Benzothiazoledione, 2,5-dimethyl-
• 英文别名: 2,5-dimethyl-1,3-benzothiazole-4,7-dione
• CAS: 650635-68-0
• 化学式: C₉H₇NO₂S
• 分子量: 193.226
• InChiKey: FUHJILFPCUXBFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氰乙酸甲酯 、 2,5-二甲基-1,3-苯并噻唑-4,7-二酮 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以80%的产率得到
  参考文献：
  名称：

  Synthesis of Benzofuro[6,7-<i>d</i>]thiazoles, Benzofuro[7,6-<i>d</i>]thiazoles and 6-Arylaminobenzo[<i>d</i>]thiazole-4,7-diones as Antifungal Agent

  摘要：

  合成了苯并呱[6,7-d]噻唑、苯并呱[7,6-d]噻唑和6-芳基氨基苯并[d]噻唑-4,7-二酮，并测试了它们对念珠菌、曲霉菌和隐球菌的体外抗真菌活性。在测试的化合物中，许多合成的化合物表现出了强效的抗真菌活性。化合物4d、6e和6h在6.3 µg/mL的最低抑菌浓度下完全抑制了所有测试的念珠菌和曲霉菌的生长。结果表明，苯并呱[6,7-d]噻唑和6-芳基氨基苯并[d]噻唑-4,7-二酮可能是有前景的抗真菌剂。

  DOI：

  10.1248/cpb.c14-00146
• 作为产物：
  描述：

  2,5-二甲基-1,3-苯并噻唑-4-胺 在 potassium dihydrogenphosphate 、 potassium nitrososulfonate 作用下， 以 水 为溶剂， 反应 5.0h， 以59%的产率得到2,5-二甲基-1,3-苯并噻唑-4,7-二酮
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles

  摘要：

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00390-0

文献信息

• Synthesis of Benzofuro[6,7-&lt;i&gt;d&lt;/i&gt;]thiazoles, Benzofuro[7,6-&lt;i&gt;d&lt;/i&gt;]thiazoles and 6-Arylaminobenzo[&lt;i&gt;d&lt;/i&gt;]thiazole-4,7-diones as Antifungal Agent
  作者：Chung-Kyu Ryu、Ji-Hee Nho、Guohua Jin、Sun Young Oh、Soo Jung Choi

  DOI：10.1248/cpb.c14-00146

  日期：——

  Benzofuro[6,7-d]thiazoles, benzofuro[7,6-d]thiazoles and 6-arylaminobenzo[d]thiazole-4,7-diones were synthesized and tested for in vitro antifungal activity against Candida, Aspergillus species and Cryptococcus neoformans. Among them tested, many of synthesized compounds showed potent antifungal activity. The compounds 4d, 6e and 6h completely inhibited the growth of all Candida and Aspergillus species tested at the MIC level of 6.3 µg/mL. The results suggest that benzofuro[6,7-d]thiazoles and 6-arylaminobenzo[d]thiazole-4,7-diones would be promising antifungal agents.

  合成了苯并呱[6,7-d]噻唑、苯并呱[7,6-d]噻唑和6-芳基氨基苯并[d]噻唑-4,7-二酮，并测试了它们对念珠菌、曲霉菌和隐球菌的体外抗真菌活性。在测试的化合物中，许多合成的化合物表现出了强效的抗真菌活性。化合物4d、6e和6h在6.3 µg/mL的最低抑菌浓度下完全抑制了所有测试的念珠菌和曲霉菌的生长。结果表明，苯并呱[6,7-d]噻唑和6-芳基氨基苯并[d]噻唑-4,7-二酮可能是有前景的抗真菌剂。
• Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles
  作者：Chung-Kyu Ryu、Ko Un Choi、Ju-Yeon Shim、Hea-Jung You、Ik Hwa Choi、Mi Jin Chae

  DOI：10.1016/s0968-0896(03)00390-0

  日期：2003.9

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.