1-carboximethyl-6-methylindane | 62677-78-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1-carboximethyl-6-methylindane
• 英文别名: (6-Methyl-2,3-dihydro-1H-inden-1-yl)acetic acid；2-(6-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
• CAS: 62677-78-5
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: CPDKYLNNHVQPNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl (6-methylindan-1-ylidene)ethanoate 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 25.0 ℃ 、310.27 kPa 条件下， 反应 15.5h， 生成 1-carboximethyl-6-methylindane
  参考文献：
  名称：

  The design of dipeptide helical mimetics, Part I: the synthesis of 1,6-disubstituted indanes

  摘要：

  The design and synthesis of conformationally restrained, non-peptide templates (1,6-disubstituted indanes) which allow the incorporation of two adjacent amino acid side-chains in an orientation similar to that found in alpha-helices is reported.

  DOI：

  10.1016/0040-4020(94)00887-z

文献信息

• The synthesis of 1,6-disubstituted indanes which mimic the orientation of amino acid side-chains in a protein alpha-helix motif.
  作者：William P. Nolan、Giles S. Ratcliffe、David C. Rees

  DOI：10.1016/s0040-4039(00)61800-2

  日期：1992.11

  We utilize a 1,6-disubstituted indane as a template onto which two amino acid side-chains are appended in an orientation which mimics that found in a protein alpha-helix motif.
• The design of dipeptide helical mimetics, Part I: the synthesis of 1,6-disubstituted indanes
  作者：David C. Horwell、William Howson、William P. Nolan、Giles S. Ratcliffe、David C. Rees、Henriette M.G. Willems

  DOI：10.1016/0040-4020(94)00887-z

  日期：1995.1

  The design and synthesis of conformationally restrained, non-peptide templates (1,6-disubstituted indanes) which allow the incorporation of two adjacent amino acid side-chains in an orientation similar to that found in alpha-helices is reported.