3-acetamido-3-methyl-1-butanol | 81548-18-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-acetamido-3-methyl-1-butanol
• 英文别名: N-(4-hydroxy-2-methylbutan-2-yl)acetamide
• CAS: 81548-18-7
• 化学式: C₇H₁₅NO₂
• 分子量: 145.202
• InChiKey: RZHKGXXQPAAYIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-acetamido-3-methyl-1-butanol 在 氢氧化钾 作用下， 反应 8.0h， 以55%的产率得到3-氨基-3-甲基丁-1-醇
  参考文献：
  名称：

  Pavel', T. M., Journal of Organic Chemistry USSR (English Translation), 1982, p. 157 - 159

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,4-trimethyl-5,6-dihydro-1,3(4H)-oxazine 在 水 作用下， 反应 7.0h， 以80%的产率得到3-acetamido-3-methyl-1-butanol
  参考文献：
  名称：

  Pavel', T. M., Journal of Organic Chemistry USSR (English Translation), 1982, p. 157 - 159

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS<br/>[FR] HÉTÉROCYCLES TRICYCLIQUES UTILES EN TANT QUE LIANTS TEAD
  申请人：MERCK PATENT GMBH

  公开号：WO2021224291A1

  公开（公告）日：2021-11-11

  The present invention relates to tricyclic heterocycles. These heterocyclic compounds are useful as TEAD binders and/or inhibitors of YAP-TEAD and TAZ-TEAD protein-protein interaction or binding and for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases, in particular cancer.

  本发明涉及三环杂环化合物。这些杂环化合物可用作TEAD结合物，和/或YAP-TEAD和TAZ-TEAD蛋白质间的相互作用或结合的抑制剂，用于预防和/或治疗包括过度增殖性疾病和疾病在内的多种医疗条件，特别是癌症。
• Ligand-Enabled γ-C(sp³)–H Hydroxylation of Free Amines with Aqueous Hydrogen Peroxide
  作者：Zhen Li、Jin-Quan Yu

  DOI：10.1021/jacs.3c09340

  日期：2023.12.6

  of primary amines (1°), piperidines, and morpholines (2°) were hydroxylated at the γ-position with excellent monoselectivity. This method provides an avenue for the synthesis of a wide range of amines, including γ-amino alcohols, β-amino acids, and azetidines. The retention of chirality in the reaction allows rapid access to chiral amines starting from the abundant chiral amine pool.

  通过钯催化对丰度胺原料中的 γ-C-H 键进行选择性氧化是合成和药物化学中一项有价值的转变。尽管在过去十年中在这一主题上取得了进展，但仍然存在两个重大限制：脂肪胺的 C-H 活化需要一个外源性定向基团，除了空间受阻的 α-叔胺，并且迄今为止尚未开发出使用绿色氧化剂（如氧或过氧化氢水溶液）进行 C（sp3）-H 羟基化的实用催化系统。在此，我们报道了使用可持续过氧化氢水溶液 （7.5–10%，w/w） 的配体选择性 γ-C（sp3）-H 羟基化。在 CarboxPyridone 配体的支持下，一系列伯胺 （1°）、哌啶和吗啉 （2°） 在 γ 位以优异的单选择性被羟基化。该方法为合成多种胺提供了一种途径，包括 γ-氨基醇、β-氨基酸和氮杂环胺。反应中手性的保留允许从丰富的手性胺池开始快速获得手性胺。
• PAVEL, T. M., ZH. ORGAN. XIMIYA, 1982, 18, N 1, 178-181
  作者：PAVEL, T. M.

  DOI：——

  日期：——
• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GlaxoSmithKline Intellectual Property (No.2) Limited

  公开号：US20170362234A1

  公开（公告）日：2017-12-21

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.
• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES DE L'URÉE SUBSTITUÉS ET PONTÉS EN TANT QUE MODULATEURS DE LA SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079710A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.