4-(4-Bromo-butoxy)-3,5-dimethyl-5H-thiophen-2-one | 851592-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢噻吩类
• 英文名称: 4-(4-Bromo-butoxy)-3,5-dimethyl-5H-thiophen-2-one
• 英文别名: 3-(4-bromobutoxy)-2,4-dimethyl-2H-thiophen-5-one
• CAS: 851592-29-5
• 化学式: C₁₀H₁₅BrO₂S
• 分子量: 279.198
• InChiKey: OXXPWKRKAMIIRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 4-(4-Bromo-butoxy)-3,5-dimethyl-5H-thiophen-2-one 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 3,5-Dimethyl-4-(4-morpholin-4-yl-butoxy)-5H-thiophen-2-one
  参考文献：
  名称：

  Antitubercular agents. Part 2: New thiolactomycin analogues active against Mycobacterium tuberculosis

  摘要：

  Structurally modified analogues of naturally occurring antibiotic thiolactomycin, substituted at 4-position of the thiolactone ring have been prepared and evaluated for their antitubercular activity. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.084
• 作为产物：
  描述：

  2-甲基-3-氧代戊酸甲酯 在 氢氧化钾 、 potassium carbonate 、 溶剂黄146 、 pyridinium hydrobromide perbromide 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 生成 4-(4-Bromo-butoxy)-3,5-dimethyl-5H-thiophen-2-one
  参考文献：
  名称：

  Antitubercular agents. Part 2: New thiolactomycin analogues active against Mycobacterium tuberculosis

  摘要：

  Structurally modified analogues of naturally occurring antibiotic thiolactomycin, substituted at 4-position of the thiolactone ring have been prepared and evaluated for their antitubercular activity. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.084

文献信息

• Antitubercular agents. Part 2: New thiolactomycin analogues active against Mycobacterium tuberculosis
  作者：Ahmed Kamal、Ahmad Ali Shaik、Rakesh Sinha、J.S. Yadav、Sudarshan K. Arora

  DOI：10.1016/j.bmcl.2005.01.084

  日期：2005.4

  Structurally modified analogues of naturally occurring antibiotic thiolactomycin, substituted at 4-position of the thiolactone ring have been prepared and evaluated for their antitubercular activity. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis. (c) 2005 Elsevier Ltd. All rights reserved.