Methyl 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoate | 126269-86-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Methyl 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoate
• CAS: 126269-86-1
• 化学式: C₂₅H₃₄O₃
• 分子量: 382.543
• InChiKey: AKAZNJJUBQKUMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以100%的产率得到3-[4-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents

  摘要：

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-{4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.082
• 作为产物：
  描述：

  farnesyl bromide 、 4-羟基肉桂酸甲酯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 Methyl 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoate
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents

  摘要：

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-{4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.082

文献信息

• Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents
  作者：Georges Koumba Yoya、Florence Bedos-Belval、Patricia Constant、Hubert Duran、Mamadou Daffé、Michel Baltas

  DOI：10.1016/j.bmcl.2008.11.082

  日期：2009.1

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.