2-(7-(tert-butyl)isochroman-1-yl)-1-phenylethanone | 1428485-00-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(7-(tert-butyl)isochroman-1-yl)-1-phenylethanone
• 英文别名: 2-(7-tert-butyl-3,4-dihydro-1H-isochromen-1-yl)-1-phenylethanone
• CAS: 1428485-00-0
• 化学式: C₂₁H₂₄O₂
• 分子量: 308.42
• InChiKey: VWWOGDRVFNTSPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(4-叔丁基苯)乙醇 在 manganese(IV) oxide 、 甲烷磺酸 、 N,N-二异丙基乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 2-(7-(tert-butyl)isochroman-1-yl)-1-phenylethanone
  参考文献：
  名称：

  Manganese Dioxide–Methanesulfonic Acid Promoted Direct Dehydrogenative Alkylation of sp³ C–H Bonds Adjacent to a Heteroatom

  摘要：

  A manganese dioxide (MnO2)-methanesulfonic acid (CH3SO3H) oxidation system has been developed to efficiently promote direct coupling of benzylic ethers and carbamates with simple ketones via oxidative C-H bond activation. The alkylation proceeds smoothly under air atmosphere to afford the corresponding products in good to excellent yields (53-87%). The employment of the combination of MnO2 and CH3SO3H is attractive on the basis of economical and environmental issues.

  DOI：

  10.1021/jo4000674

文献信息

• Manganese Dioxide–Methanesulfonic Acid Promoted Direct Dehydrogenative Alkylation of sp³ C–H Bonds Adjacent to a Heteroatom
  作者：Xigong Liu、Bin Sun、Zhiyu Xie、Xiaojun Qin、Lei Liu、Hongxiang Lou

  DOI：10.1021/jo4000674

  日期：2013.4.5

  A manganese dioxide (MnO2)-methanesulfonic acid (CH3SO3H) oxidation system has been developed to efficiently promote direct coupling of benzylic ethers and carbamates with simple ketones via oxidative C-H bond activation. The alkylation proceeds smoothly under air atmosphere to afford the corresponding products in good to excellent yields (53-87%). The employment of the combination of MnO2 and CH3SO3H is attractive on the basis of economical and environmental issues.