4-p-tolyloxymethyl-benzonitrile | 854626-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-p-tolyloxymethyl-benzonitrile
• 英文别名: 4-p-Tolyloxymethyl-benzoesaeure-nitril；4-[(4-Methylphenoxy)methyl]benzonitrile
• CAS: 854626-60-1
• 化学式: C₁₅H₁₃NO
• mdl: MFCD09906304
• 分子量: 223.274
• InChiKey: VTAQUPAPUPEMJF-UHFFFAOYSA-N

物化性质

• 沸点：
  381.4±30.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-p-tolyloxymethyl-benzonitrile 在 sodium hydroxide 作用下， 生成 4-[(4-甲基苯氧基)甲基]苯甲酸
  参考文献：
  名称：

  US2375138

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲苯硼酸 、 对氰基溴化苄 在 双氧水 、 palladium diacetate 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 10.0h， 以74%的产率得到4-p-tolyloxymethyl-benzonitrile
  参考文献：
  名称：

  净水中H 2 O 2为氧化剂的Pd（OAc）2催化合成苄基苯基醚衍生物

  摘要：

  已经开发出用于不同苄基溴和各种芳基硼酸的Pd（OAc）2催化反应的新方案，以形成官能化的苄基苯基醚。该方法代表了首先使用芳基硼酸作为苄基苯基醚合成的反应底物的方法，其中在大气氧气下以H 2 O 2为绿色氧化剂，而纯H 2 O为环境友好的溶剂，而无需膦和N的配体，出色的官能团耐受性和可观的收率。

  DOI：

  10.1016/j.catcom.2018.10.026

文献信息

• 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS
  申请人：Imogai Hassan Julien

  公开号：US20100166655A1

  公开（公告）日：2010-07-01

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors-subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.
• 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20140315903A1

  公开（公告）日：2014-10-23

  The present invention relates to novel compounds, in particular novel pyridinone derivatives according to Formula (I) wherein all radicals are defined in the application and claims. The compounds according to the invention are positive allosteric modulators of metabotropic receptors—subtype 2 (“mGluR2”) which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.
• US8841323B2
  申请人：——

  公开号：US8841323B2

  公开（公告）日：2014-09-23
• US9266834B2
  申请人：——

  公开号：US9266834B2

  公开（公告）日：2016-02-23
• Pd(OAc)2-catalyzed synthesis of benzyl phenyl ether derivatives with H2O2 as an oxidant in neat water
  作者：Qian-Qian Chen、Hui-Xian Zhang、Jian-Xin Yang

  DOI：10.1016/j.catcom.2018.10.026

  日期：2019.1

  A new protocol for Pd(OAc)2-catalyzed reactions of different benzyl bromides and various arylboronic acids has been developed to form functionalized benzyl phenyl ethers. This method represents the first instance where arylboronic acid is used as a reaction substrate for benzyl phenyl ether synthesis with H2O2 as the green oxidant under atmospheric oxygen and pure H2O as an environmental friendly solvent

  已经开发出用于不同苄基溴和各种芳基硼酸的Pd（OAc）2催化反应的新方案，以形成官能化的苄基苯基醚。该方法代表了首先使用芳基硼酸作为苄基苯基醚合成的反应底物的方法，其中在大气氧气下以H 2 O 2为绿色氧化剂，而纯H 2 O为环境友好的溶剂，而无需膦和N的配体，出色的官能团耐受性和可观的收率。