Ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate | 1025997-57-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate
• CAS: 1025997-57-2
• 化学式: C₂₃H₂₆F₃NO₄
• 分子量: 437.459
• InChiKey: UDLMIHZPUHRWCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate 在 hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-[4-Methoxy-3-[N-[[4-(trifluoromethyl)phenyl]-methyl]carbamoyl]phenyl]-2,2-dimethylpropanoic acid
  参考文献：
  名称：

  Design, synthesis and evaluation of substituted phenylpropanoic acid derivatives as peroxisome proliferator-activated receptor (PPAR) activators: novel human PPARα-selective activators

  摘要：

  A series of substituted phenylpropanoic acid derivatives was prepared as part of a search for subtype-selective human peroxisome proliferator-activated receptor (PPAR) activators. Structure-activity relationship studies indicated that the substituent at the alpha -position of the carboxyl group plays a key role in determining the potency and the selectivity for PPAR trans activation. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00672-2
• 作为产物：
  描述：

  1-乙氧基-2-甲基-1-(三甲基硅氧基)-1-丙烯 在 palladium on activated charcoal magnesium(II) perchlorate 、 氢气 、 氯甲酸乙酯 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 Ethyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate
  参考文献：
  名称：

  Design, synthesis and evaluation of substituted phenylpropanoic acid derivatives as peroxisome proliferator-activated receptor (PPAR) activators: novel human PPARα-selective activators

  摘要：

  A series of substituted phenylpropanoic acid derivatives was prepared as part of a search for subtype-selective human peroxisome proliferator-activated receptor (PPAR) activators. Structure-activity relationship studies indicated that the substituent at the alpha -position of the carboxyl group plays a key role in determining the potency and the selectivity for PPAR trans activation. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00672-2

文献信息

• Design, synthesis and evaluation of substituted phenylpropanoic acid derivatives as peroxisome proliferator-activated receptor (PPAR) activators: novel human PPARα-selective activators
  作者：Hiroyuki Miyachi、Masahiro Nomura、Takahiro Tanase、Yukie Takahashi、Tomohiro Ide、Masaki Tsunoda、Koji Murakami、Katsuya Awano

  DOI：10.1016/s0960-894x(01)00672-2

  日期：2002.1

  A series of substituted phenylpropanoic acid derivatives was prepared as part of a search for subtype-selective human peroxisome proliferator-activated receptor (PPAR) activators. Structure-activity relationship studies indicated that the substituent at the alpha -position of the carboxyl group plays a key role in determining the potency and the selectivity for PPAR trans activation. (C) 2001 Elsevier Science Ltd. All rights reserved.