methyl 4-acetyl-3-aminobenzoate | 1395101-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 4-acetyl-3-aminobenzoate
• CAS: 1395101-68-4
• 化学式: C₁₀H₁₁NO₃
• 分子量: 193.202
• InChiKey: HACXOQMRXIEEID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-acetyl-3-aminobenzoate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 为溶剂， 以81 %的产率得到4-Acetyl-3-aminobenzoic acid
  参考文献：
  名称：

  WO2024091659A1

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 4-acetyl-3-(4-methylphenylsulfonamido)benzoate 在 硫酸 、 碳酸氢钠 作用下， 反应 2.0h， 以100%的产率得到methyl 4-acetyl-3-aminobenzoate
  参考文献：
  名称：

  Ru(ii)-catalyzed intermolecular ortho-C–H amidation of aromatic ketones with sulfonyl azides

  摘要：

  报道了Ru(II)催化下，弱配位芳香酮与磺酰叠氮之间的分子间邻位C–H酰胺化反应。该反应方案可以扩展到各种取代的芳香酮，以良好产率获得大量期望的C–N键形成产物。

  DOI：

  10.1039/c3cc41915k

文献信息

• Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof
  申请人：Hardy Larry Wendell

  公开号：US20110319380A1

  公开（公告）日：2011-12-29

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。本文中提供的化合物可用于治疗、预防和/或管理各种疾病，如神经系统疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症。本文提供的化合物在中枢神经系统或外周调节代谢性谷氨酸受体5(mGluR5)的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。
• COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20140349992A1

  公开（公告）日：2014-11-27

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。这些化合物可用于治疗、预防和/或管理各种疾病，如神经疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症等。本文提供的化合物在中枢神经系统或外周调节代谢性谷氨酸受体5 (mGluR5) 的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。
• One-pot synthesis of 2,1-benzisoxazoles (anthranils) by a stannous chloride-mediated tandem reduction–heterocyclization of 2-nitroacylbenzenes under neutral conditions
  作者：Jay Chauhan、Steven Fletcher

  DOI：10.1016/j.tetlet.2012.07.006

  日期：2012.9

  Classically, 2,1-benzisoxazoles (anthranils) are prepared from 2-nitroacylbenzenes by a reductive heterocyclization reaction with Sn or SnCl2 concentrated HCl. Acid sensitive functionalities are expected to be incompatible with these conditions; milder approaches to the synthesis of 2,1-benzisoxazoles would be welcomed. We demonstrate that SnCl2 center dot 2H(2)O in a 1:1 mixture of EtOAc/MeOH is capable of mediating the tandem reduction-heterocyclization of a variety of 2-nitroacylbenzenes to their corresponding 2,1-benzisoxazoles in good to excellent yields under essentially neutral conditions. Importantly, several commonly used acid-labile protecting groups, including Boc carbamate, tert-butyl ether, and tert-butyl ester, proved orthogonal to these reaction conditions. (C) 2012 Elsevier Ltd. All rights reserved.
• US8772301B2
  申请人：——

  公开号：US8772301B2

  公开（公告）日：2014-07-08
• WO2023/127814
  申请人：——

  公开号：——

  公开（公告）日：——