3-Bromo-1-(2-methoxy-5-methylphenyl)propan-1-one | 1266756-28-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Bromo-1-(2-methoxy-5-methylphenyl)propan-1-one
• 英文别名: 3-bromo-1-(2-methoxy-5-methylphenyl)propan-1-one
• CAS: 1266756-28-8
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: OPTMZQARAAVBDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Bromo-1-(2-methoxy-5-methylphenyl)propan-1-one 在 manganese(IV) oxide 、 sodium carbonate 作用下， 以 丙醇 、 水 、 甲苯 为溶剂， 反应 51.0h， 生成 3-(2'-methoxy-5'-methylphenyl)-1-methylpyrazole
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920
• 作为产物：
  描述：

  对甲苯甲醚 、 3-溴丙酰氯 在 aluminum (III) chloride 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-Bromo-1-(2-methoxy-5-methylphenyl)propan-1-one
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920

文献信息

• Anodic Cyclization of Dimethyl 2-(3-Oxo-3-arylpropyl) Malonates into the Corresponding Dimethyl 2-Aroylcyclopropane-1,1-dicarboxylates
  作者：Mitsuhiro Okimoto、Haruki Yamamori、Kousuke Ohashi、Masayuki Hoshi、Takashi Yoshida

  DOI：10.1055/s-0033-1339198

  日期：——

  A variety of dimethyl 2-(3-oxo-3-arylpropyl)malonates were electrooxidized in methanol, in the presence of potassium iodide and a base or a neutral salt, to give the corresponding cyclized dimethyl 2-aroylcyclopropane-1,1-dicarboxylates in moderate to good yields. The reactions were carried out under extremely mild reaction conditions, in which the optimal amount of electrolytic current varied from 2.12-2.41 F.mol(-1) depending on the substrates. The reaction presumably proceeds via a two-electron oxidation process, in which iodide ions play an important role as the electron carrier between the anode and the substrate.