Methyl 4-[2-[2-[4-[5-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-2-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoate | 1415228-87-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Methyl 4-[2-[2-[4-[5-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-2-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoate
• 英文别名: methyl 4-[2-[2-[4-[5-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-2-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoate
• CAS: 1415228-87-3
• 化学式: C₃₅H₃₆O₉
• 分子量: 600.665
• InChiKey: VGJNNEUEDSOLMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  44
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  90.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Methyl 4-[2-[2-[4-[5-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-2-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoate 在 lithium aluminium tetrahydride 、 四溴化碳 、 palladium 10% on activated carbon 、 氢气 、 sodium methylate 、 三溴化硼 、 三苯基膦 作用下， 以 乙醚 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 、 苯 为溶剂， 反应 81.0h， 生成 14-Oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene-5,11,16,24-tetrol
  参考文献：
  名称：

  Riccardin C derivatives as anti-MRSA agents: Structure–activity relationship of a series of hydroxylated bis(bibenzyl)s

  摘要：

  Members of a series of macrocyclic bis(bibenzyl) riccardin-class derivatives were found to exhibit antibacterial activity towards methicillin-resistant Staphylococcus aureus (anti-MRSA activity). Structure-activity relationship (SAR) studies were conducted, focusing on the number and position of the hydroxyl groups. The minimum essential structure for anti-MRSA activity was also investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.052
• 作为产物：
  描述：

  4-羟基-2-甲氧基苯甲醛 在 18-冠醚-6 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 Methyl 4-[2-[2-[4-[5-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-2-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoate
  参考文献：
  名称：

  Riccardin C derivatives as anti-MRSA agents: Structure–activity relationship of a series of hydroxylated bis(bibenzyl)s

  摘要：

  Members of a series of macrocyclic bis(bibenzyl) riccardin-class derivatives were found to exhibit antibacterial activity towards methicillin-resistant Staphylococcus aureus (anti-MRSA activity). Structure-activity relationship (SAR) studies were conducted, focusing on the number and position of the hydroxyl groups. The minimum essential structure for anti-MRSA activity was also investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.052

文献信息

• Riccardin C derivatives as anti-MRSA agents: Structure–activity relationship of a series of hydroxylated bis(bibenzyl)s
  作者：Hiromi Sawada、Miki Okazaki、Daichi Morita、Teruo Kuroda、Kenji Matsuno、Yuichi Hashimoto、Hiroyuki Miyachi

  DOI：10.1016/j.bmcl.2012.10.052

  日期：2012.12

  Members of a series of macrocyclic bis(bibenzyl) riccardin-class derivatives were found to exhibit antibacterial activity towards methicillin-resistant Staphylococcus aureus (anti-MRSA activity). Structure-activity relationship (SAR) studies were conducted, focusing on the number and position of the hydroxyl groups. The minimum essential structure for anti-MRSA activity was also investigated. (C) 2012 Elsevier Ltd. All rights reserved.