2,2-Dimethyl-5-phenylmethoxypentanoic acid | 935529-03-6

• 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: 2,2-Dimethyl-5-phenylmethoxypentanoic acid
• CAS: 935529-03-6
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: NUTKNCWINZQASE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-5-phenylmethoxypentanoic acid 在 palladium diacetate dipotassium hydrogenphosphate 、 草酰氯 、 silver carbonate 、 对苯醌 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 反应 5.0h， 生成 3-benzyl-3-methyltetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  Palladium-Catalyzed Methylation and Arylation of sp² and sp³ C−H Bonds in Simple Carboxylic Acids

  摘要：

  The use of preformed sodium carboxylates as substrates led to the first observation of facile Pd-insertions into sp(3) beta-C-H bonds in simple aliphatic acids. Consequently, Pd-catalyzed methylation and arylation of o-C-H bonds in benzoic acids and beta-C-H bonds in aliphatic acids using either a phenylboronate, methylboronic acid, or ArI have been achieved via a C-H activation/C-C coupling sequence.

  DOI：

  10.1021/ja0701614
• 作为产物：
  描述：

  异丁酸甲酯 、 3-苄氧基溴丙烷 在 水 作用下， 生成 2,2-Dimethyl-5-phenylmethoxypentanoic acid
  参考文献：
  名称：

  Palladium-Catalyzed Methylation and Arylation of sp² and sp³ C−H Bonds in Simple Carboxylic Acids

  摘要：

  The use of preformed sodium carboxylates as substrates led to the first observation of facile Pd-insertions into sp(3) beta-C-H bonds in simple aliphatic acids. Consequently, Pd-catalyzed methylation and arylation of o-C-H bonds in benzoic acids and beta-C-H bonds in aliphatic acids using either a phenylboronate, methylboronic acid, or ArI have been achieved via a C-H activation/C-C coupling sequence.

  DOI：

  10.1021/ja0701614

文献信息

• Palladium-Catalyzed Methylation and Arylation of sp² and sp³ C−H Bonds in Simple Carboxylic Acids
  作者：Ramesh Giri、Nathan Maugel、Jiao-Jie Li、Dong-Hui Wang、Steven P. Breazzano、Lindsey B. Saunders、Jin-Quan Yu

  DOI：10.1021/ja0701614

  日期：2007.3.1

  The use of preformed sodium carboxylates as substrates led to the first observation of facile Pd-insertions into sp(3) beta-C-H bonds in simple aliphatic acids. Consequently, Pd-catalyzed methylation and arylation of o-C-H bonds in benzoic acids and beta-C-H bonds in aliphatic acids using either a phenylboronate, methylboronic acid, or ArI have been achieved via a C-H activation/C-C coupling sequence.