Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate | 902151-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
• CAS: 902151-23-9
• 化学式: C₁₄H₁₉NO₃
• 分子量: 249.31
• InChiKey: POSDQRWCKDKZRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate 在 邻苯二甲酸二甲酯 作用下， 以 二氯甲烷 为溶剂， 生成 Methyl 2-benzyl-3-oxopiperidine-1-carboxylate
  参考文献：
  名称：

  Novel γ-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates

  摘要：

  Screening of our in-house compound library comprised of intermediates of natural product synthesis projects resulted in discovering two novel gamma-secretase inhibitors, which coincidently had similar moieties, that is, cyclohexenone and two aryl groups arranged on the core six-membered ring. Structure-activity relationship studies of these compounds were also developed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.025
• 作为产物：
  描述：

  [1-Benzyl-2-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pent-3-ynyl]-carbamic acid benzyl ester 在 palladium on activated charcoal 吡啶 、 camphor-10-sulfonic acid 、 氢气 、 sodium carbonate 、 potassium carbonate 、 caesium carbonate 、 苯硫酚 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 生成 Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
  参考文献：
  名称：

  Novel γ-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates

  摘要：

  Screening of our in-house compound library comprised of intermediates of natural product synthesis projects resulted in discovering two novel gamma-secretase inhibitors, which coincidently had similar moieties, that is, cyclohexenone and two aryl groups arranged on the core six-membered ring. Structure-activity relationship studies of these compounds were also developed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.025

文献信息

• Novel γ-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates
  作者：Yasuko Takahashi、Haruhiko Fuwa、Akane Kaneko、Makoto Sasaki、Satoshi Yokoshima、Hifumi Koizumi、Tohru Takebe、Toshiyuki Kan、Takeshi Iwatsubo、Taisuke Tomita、Hideaki Natsugari、Tohru Fukuyama

  DOI：10.1016/j.bmcl.2006.04.025

  日期：2006.7

  Screening of our in-house compound library comprised of intermediates of natural product synthesis projects resulted in discovering two novel gamma-secretase inhibitors, which coincidently had similar moieties, that is, cyclohexenone and two aryl groups arranged on the core six-membered ring. Structure-activity relationship studies of these compounds were also developed. (c) 2006 Elsevier Ltd. All rights reserved.