2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid | 1181277-89-3

• 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-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid
• 英文别名: 2-[4-(4-Tert-butylphenyl)phenyl]-2-methylpropanoic acid；2-[4-(4-tert-butylphenyl)phenyl]-2-methylpropanoic acid
• CAS: 1181277-89-3
• 化学式: C₂₀H₂₄O₂
• 分子量: 296.409
• InChiKey: SLOPMXWEKRRVPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid 在 碘苯二乙酸 、 silver(I) acetate 、 cesium acetate 、 sodium acetate 、 palladium diacetate 作用下， 以 氯苯 、 叔丁醇 为溶剂， 反应 12.0h， 以75%的产率得到6-(4-(tert-butyl)phenyl)-3,3-dimethylbenzofuran-2(3H)-one
  参考文献：
  名称：

  Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation

  摘要：

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

  DOI：

  10.1021/ol303569b
• 作为产物：
  描述：

  2-(4-溴苯基)-2-甲基丙腈 在 potassium carbonate 、 potassium hydroxide 、 palladium dichloride 作用下， 以 乙醇 、 乙二醇 为溶剂， 反应 4.5h， 生成 2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid
  参考文献：
  名称：

  Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation

  摘要：

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

  DOI：

  10.1021/ol303569b

文献信息

• Nickel-Catalyzed Oxidative Coupling of Unactivated C(sp³)–H Bonds in Aliphatic Amides with Terminal Alkynes
  作者：Fei-Xian Luo、Zhi-Chao Cao、Hong-Wei Zhao、Ding Wang、Yun-Fei Zhang、Xing Xu、Zhang-Jie Shi

  DOI：10.1021/acs.organomet.6b00529

  日期：2017.1.9

  In this work, we demonstrated Ni-catalyzed oxidative coupling of unactivated C(sp(3))-H bonds with terminal alkynes for construction of C(sp(3))-C(sp) bonds to synthesize alkyl-substituted internal alkynes. Different amides exhibited good compatibility. Preliminary mechanistic studies were conducted to account for this alkynylation.
• Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation
  作者：Mingyu Yang、Xingyu Jiang、Wen-Juan Shi、Qi-Lei Zhu、Zhang-Jie Shi

  DOI：10.1021/ol303569b

  日期：2013.2.1

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.