7-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-8-methyl-4-[[(trifluoromethyl)sulphonyl]oxy]-2H-1-benzopyran-2-one | 219783-81-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-8-methyl-4-[[(trifluoromethyl)sulphonyl]oxy]-2H-1-benzopyran-2-one
• 英文别名: [7-[tert-butyl(diphenyl)silyl]oxy-8-methyl-2-oxochromen-4-yl] trifluoromethanesulfonate
• CAS: 219783-81-0
• 化学式: C₂₇H₂₅F₃O₆SSi
• 分子量: 562.639
• InChiKey: GSNHXYDXDXAQEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-8-methyl-4-[[(trifluoromethyl)sulphonyl]oxy]-2H-1-benzopyran-2-one 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 7-hydroxy-8-methyl-4-(4-methyl-1-piperazinyl)-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Fine Tuning of physico-chemical parameters to optimise a new series of novobiocin analogues

  摘要：

  A novel series of novobiocin analogues has been synthesised by removing the lipophilic aryl chain in novobiocin and introducing an amino substituent. The structural modifications have been dictated by the control of lipophilicity and the dissociation constant of the resulting compounds. Antibacterial activity of the new coumarin derivatives could be correlated with the amount of uncharged form in physiological conditions. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00257-8
• 作为产物：
  描述：

  三氟甲磺酸酐 、 7-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-4-hydroxy-8-methyl-2H-1-benzopyran-2-one 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以87%的产率得到7-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-8-methyl-4-[[(trifluoromethyl)sulphonyl]oxy]-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Fine Tuning of physico-chemical parameters to optimise a new series of novobiocin analogues

  摘要：

  A novel series of novobiocin analogues has been synthesised by removing the lipophilic aryl chain in novobiocin and introducing an amino substituent. The structural modifications have been dictated by the control of lipophilicity and the dissociation constant of the resulting compounds. Antibacterial activity of the new coumarin derivatives could be correlated with the amount of uncharged form in physiological conditions. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00257-8

文献信息

• Aromatic derivatives substituted by a ribose, their preparation process
  申请人：Hoechst Marion Roussel

  公开号：US05968939A1

  公开（公告）日：1999-10-19

  A subject of the invention is the compounds of formula (I): ##STR1## having antibiotic properties.

  本发明的主题是具有抗生素性质的式（I）化合物：##STR1##
• Fine Tuning of physico-chemical parameters to optimise a new series of novobiocin analogues
  作者：Laurent Schio、Fabienne Chatreaux、Véronique Loyau、Michel Murer、Anne Ferreira、Pascale Mauvais、Alain Bonnefoy、Michel Klich

  DOI：10.1016/s0960-894x(01)00257-8

  日期：2001.6

  A novel series of novobiocin analogues has been synthesised by removing the lipophilic aryl chain in novobiocin and introducing an amino substituent. The structural modifications have been dictated by the control of lipophilicity and the dissociation constant of the resulting compounds. Antibacterial activity of the new coumarin derivatives could be correlated with the amount of uncharged form in physiological conditions. (C) 2001 Elsevier Science Ltd. All rights reserved.