2-(3-(((triisopropylsilyl)oxy)methyl)phenyl)acetic acid | 1418713-76-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-(((triisopropylsilyl)oxy)methyl)phenyl)acetic acid
• 英文别名: 2-[3-[Tri(propan-2-yl)silyloxymethyl]phenyl]acetic acid；2-[3-[tri(propan-2-yl)silyloxymethyl]phenyl]acetic acid
• CAS: 1418713-76-4
• 化学式: C₁₈H₃₀O₃Si
• 分子量: 322.52
• InChiKey: ATOQTUQFKFBGNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ((3-(chloromethyl)benzyl)oxy)triisopropylsilane 、 二氧化碳 在 氯化镍二甲氧基乙烷 、 C₁₅H₂₇P*(x)BF₄*H⁽¹⁺⁾ 、 magnesium chloride 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 以63%的产率得到2-(3-(((triisopropylsilyl)oxy)methyl)phenyl)acetic acid
  参考文献：
  名称：

  Ni-Catalyzed Direct Carboxylation of Benzyl Halides with CO₂

  摘要：

  A novel Ni-catalyzed carboxylation of benzyl halides with CO2 has been developed. The described carboxylation reaction proceeds under mild conditions (atmospheric CO, pressure) at room temperature. Unlike other routes for similar means, our method does not require well-defined and sensitive organometallic reagents and thus is a user-friendly and operationally simple protocol for assembling phenylacetic acids.

  DOI：

  10.1021/ja311045f

文献信息

• Ni-Catalyzed Direct Carboxylation of Benzyl Halides with CO₂
  作者：Thierry León、Arkaitz Correa、Ruben Martin

  DOI：10.1021/ja311045f

  日期：2013.1.30

  A novel Ni-catalyzed carboxylation of benzyl halides with CO2 has been developed. The described carboxylation reaction proceeds under mild conditions (atmospheric CO, pressure) at room temperature. Unlike other routes for similar means, our method does not require well-defined and sensitive organometallic reagents and thus is a user-friendly and operationally simple protocol for assembling phenylacetic acids.