methyl 2-(p-tolyl)hexanoate | 1004985-76-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 2-(p-tolyl)hexanoate
• 英文别名: Methyl 2-(4-methylphenyl)hexanoate
• CAS: 1004985-76-5
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: NEJPZYOZLLYTDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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-溴己酸甲酯 、 4-甲苯硼酸 在 四(三苯基膦)镍 potassium phosphate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以72%的产率得到methyl 2-(p-tolyl)hexanoate
  参考文献：
  名称：

  Ni-Catalyzed Mild Arylation of α-Halocarbonyl Compounds with Arylboronic Acids

  摘要：

  simple yet powerful Ni catalyst can be used to promote direct arylations of alpha-halocarbonyl compounds, including a range of esters, amides, and ketones, with various arylboronic acids under mild conditions. The method tolerates beta-hydrogens and functional groups in the substrates and offers reactivity and selectivity profiles that are complementary to those found in the well-established Buchwald-Hartwig approach.

  DOI：

  10.1021/ol702456z

文献信息

• Ni-Catalyzed Mild Arylation of α-Halocarbonyl Compounds with Arylboronic Acids
  作者：Chao Liu、Chuan He、Wei Shi、Mao Chen、Aiwen Lei

  DOI：10.1021/ol702456z

  日期：2007.12.1

  simple yet powerful Ni catalyst can be used to promote direct arylations of alpha-halocarbonyl compounds, including a range of esters, amides, and ketones, with various arylboronic acids under mild conditions. The method tolerates beta-hydrogens and functional groups in the substrates and offers reactivity and selectivity profiles that are complementary to those found in the well-established Buchwald-Hartwig approach.