4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)benzonitrile | 1520089-77-3

• 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: 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)benzonitrile
• 英文别名: 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]benzonitrile
• CAS: 1520089-77-3
• 化学式: C₁₉H₂₁FN₂O
• 分子量: 312.387
• InChiKey: CZDYBRSNYMJEBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对苯二腈 、 4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol 在 fac-tris(2-phenylpyridinato-N,C2')iridium(III) 、 dipotassium hydrogenphosphate 、 正辛醛 、 巯基乙酸甲酯 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 12.0h， 以75%的产率得到4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)benzonitrile
  参考文献：
  名称：

  A General Strategy for Organocatalytic Activation of C–H Bonds via Photoredox Catalysis: Direct Arylation of Benzylic Ethers

  摘要：

  Direct C-H functionalization and arylation of benzyl ethers has been accomplished via photoredox organocatalysis. The productive merger of a thiol catalyst and a commercially available iridium photoredox catalyst in the presence of household light directly affords benzylic arylation products in good to excellent yield. The utility of this methodology is further demonstrated in direct arylation of 2,5-dihydrofuran to form a single regioisomer.

  DOI：

  10.1021/ja411596q

文献信息

• Process for the Preparation of Escitalopram
  申请人：Rao Dharmaraj Ramachandra

  公开号：US20100204493A1

  公开（公告）日：2010-08-12

  The present invention provides a novel process for the preparation of a compound of Formula III, and novel processes for preparing escitalopram using the compound of Formula III.

  本发明提供了一种制备化合物III的新型工艺，以及利用化合物III制备艾司西酞普兰的新工艺。
• US8288568B2
  申请人：——

  公开号：US8288568B2

  公开（公告）日：2012-10-16
• A General Strategy for Organocatalytic Activation of C–H Bonds via Photoredox Catalysis: Direct Arylation of Benzylic Ethers
  作者：Katrine Qvortrup、Danica A. Rankic、David W. C. MacMillan

  DOI：10.1021/ja411596q

  日期：2014.1.15

  Direct C-H functionalization and arylation of benzyl ethers has been accomplished via photoredox organocatalysis. The productive merger of a thiol catalyst and a commercially available iridium photoredox catalyst in the presence of household light directly affords benzylic arylation products in good to excellent yield. The utility of this methodology is further demonstrated in direct arylation of 2,5-dihydrofuran to form a single regioisomer.