4-(4'-hydroxy-3'-methoxyphenyl)pentan-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(4'-hydroxy-3'-methoxyphenyl)pentan-2-one
• 英文别名: 4-(4-hydroxy-3-methoxybenzyl)butan-2-one；5-(4-Hydroxy-3-methoxyphenyl)pentan-2-one；5-(4-hydroxy-3-methoxyphenyl)pentan-2-one
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: GSNZRKKZTDECQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  叔丁基二甲基氯硅烷 、 4-(4'-hydroxy-3'-methoxyphenyl)pentan-2-one 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 5-[4-(tert-Butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-pentan-2-one
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1

文献信息

• Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists
  作者：JungWha Yoon、HyeYoung Choi、Hyun Joo Lee、Chong Hyun Ryu、Hyeung-geun Park、Young-ger Suh、Uhtaek Oh、Yeon Su Jeong、Jin Kyu Choi、Young-Ho Park、Hee-Doo Kim

  DOI：10.1016/s0960-894x(03)00178-1

  日期：2003.5

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.