4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol | 1520089-44-4

• 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-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol
• CAS: 1520089-44-4
• 化学式: C₁₂H₁₈FNO
• 分子量: 211.279
• InChiKey: VTGQXXXQEAOXJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  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

• 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.