2-Methyl-2-[4-(2-methylpropyl)phenyl]propanenitrile | 69326-79-0

• 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-Methyl-2-[4-(2-methylpropyl)phenyl]propanenitrile
• CAS: 69326-79-0
• 化学式: C₁₄H₁₉N
• 分子量: 201.312
• InChiKey: NONMLRKHHZKHLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-[4-(2-methylpropyl)phenyl]propanenitrile 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 反应 4.0h， 生成 2-(4-异丁基苯基)-2-甲基丙酸
  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：

  (4-异丁基苯基)乙腈 、 sodium hydroxide 以14%的产率得到
  参考文献：
  名称：

  SABBATINI M.; CESAROTTI E.; PIZZOTTI M., BOLL. CHIM. FARM., 1978, 117, NO 6, 325-330

  摘要：

  DOI：

文献信息

• CCR9 ANTAGONIST COMPOUNDS
  申请人：Pandya Bhuamik

  公开号：US20170216295A1

  公开（公告）日：2017-08-03

  Provided herein are compounds that inhibit CCR9 receptor function. Also provided herein are methods of treating inflammatory disease in a subject, comprising administering to the subject a compound of the invention. Accordingly, in one aspect, provided herein is a compound of Formula (1) or a pharmaceutically acceptable salt thereof. In another aspect, provided herein is a pharmaceutical composition, comprising a compound of Formula (1), and a pharmaceutically acceptable carrier.
• US4186270A
  申请人：——

  公开号：US4186270A

  公开（公告）日：1980-01-29
• 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.
• SABBATINI M.; CESAROTTI E.; PIZZOTTI M., BOLL. CHIM. FARM., 1978, 117, NO 6, 325-330
  作者：SABBATINI M.、 CESAROTTI E.、 PIZZOTTI M.

  DOI：——

  日期：——