N-苄基-4-羟基-N-甲基丁酰胺 | 202402-02-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: N-苄基-4-羟基-N-甲基丁酰胺
• 英文名称: N-benzyl-4-hydroxy-N-methylbutanamide
• CAS: 202402-02-6
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: YXJQJFRIEBSNKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  380.4±35.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苄基-4-羟基-N-甲基丁酰胺 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以91%的产率得到N-苄基-4-氯-N-甲基丁酰胺
  参考文献：
  名称：

  2-Pyrrolidinone moiety is not critical for the cognition-enhancing activity of piracetam-like drugs

  摘要：

  Following the indications of previous work, 2-pyrrolidinone moiety of piracetam and piracetam-like compounds has been opened to the corresponding amide derivatives. As found previously in the case of 1,4-diazabicyclo[4.3.0]nonan-9-one compounds, the cognition-enhancing activity of 2-pyrrolidinone compounds is maintained in most cases, suggesting that this moiety is not crucial for activity.

  DOI：

  10.1016/s0014-827x(03)00111-3
• 作为产物：
  描述：

  γ-丁内酯 、 N-甲基苄胺 反应 20.0h， 以89%的产率得到N-苄基-4-羟基-N-甲基丁酰胺
  参考文献：
  名称：

  2-Pyrrolidinone moiety is not critical for the cognition-enhancing activity of piracetam-like drugs

  摘要：

  Following the indications of previous work, 2-pyrrolidinone moiety of piracetam and piracetam-like compounds has been opened to the corresponding amide derivatives. As found previously in the case of 1,4-diazabicyclo[4.3.0]nonan-9-one compounds, the cognition-enhancing activity of 2-pyrrolidinone compounds is maintained in most cases, suggesting that this moiety is not crucial for activity.

  DOI：

  10.1016/s0014-827x(03)00111-3

文献信息

• [EN] NRF2 REGULATORS<br/>[FR] RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2015092713A1

  公开（公告）日：2015-06-25

  The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

  这项发明涉及双芳基类似物，含有它们的药物组合物以及它们作为Nrf2调节剂的用途。
• Nrf2 regulators
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US10144731B2

  公开（公告）日：2018-12-04

  The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

  本发明涉及双芳基类似物、含有它们的药物组合物以及它们作为 Nrf2 调节剂的用途。
• Investigations into the mechanism of lactamization of lactones yielding in a novel route to biologically active tryptamine derivatives
  作者：Michael Decker、Thi Thanh Huyen Nguyen、Jochen Lehmann

  DOI：10.1016/j.tet.2004.03.073

  日期：2004.5

  The mechanism of lactamization of corresponding lactones was investigated by means of gas chromatography and synthesis of possible intermediates as references. Lactones react with amines via the amino acid with subsequent elimination of water to the corresponding lactams. In the first step, also hydroxyamides are in equilibrium with the lactones and amines, respectively, which are not able to form the amide though. This mechanism opens a new approach for the synthesis of N-beta-disubstituted tryptamines. (C) 2004 Elsevier Ltd. All rights reserved.
• NRF2 REGULATORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：EP3083614A1

  公开（公告）日：2016-10-26
• NRF2 Regulators
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US20190002454A1

  公开（公告）日：2019-01-03

  The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.