1-(3-(benzyloxy)benzylidene)-2-(2,4-dimethylphenyl)hydrazine | 391646-69-8

• 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: 1-(3-(benzyloxy)benzylidene)-2-(2,4-dimethylphenyl)hydrazine
• 英文别名: 2,4-dimethyl-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
• CAS: 391646-69-8
• 化学式: C₂₂H₂₂N₂O
• 分子量: 330.429
• InChiKey: FEKQKCIHGWIFEC-UHFFFAOYSA-N

物化性质

• 沸点：
  492.0±45.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  33.62
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(3-(benzyloxy)benzylidene)-2-(2,4-dimethylphenyl)hydrazine 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N'-(3-benzyloxybenzylidene)acetohyrazide
  参考文献：
  名称：

  The first synthesis of [11C]J147, a new potential PET agent for imaging of Alzheimer’s disease

  摘要：

  J147 was synthesized from 2,4-dimethylphenylhydrazine hydrochloride and 3-methoxybenzaldehyde in 2 steps with 71% overall yield. The precursor desmethyl-J147 was synthesized from 3-hydroxybenzaldehyde and 2,4-dimethylphenylhydrazine hydrochloride in 4 steps with 63% overall yield. [C-11]J147 was prepared from desmethyl-J147 with [C-11]CH3OTf through O-[C-11] methylation and isolated by HPLC combined with solid-phase extraction (SPE) in 35-50% radiochemical yield based on [C-11]CO2 and decay corrected to end of bombardment (EOB), with 370-740 GBq/mu mol specific activity at EOB. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.031
• 作为产物：
  描述：

  3-甲氧基苯甲醛 在 sodium acetate 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 1-(3-(benzyloxy)benzylidene)-2-(2,4-dimethylphenyl)hydrazine
  参考文献：
  名称：

  The first synthesis of [11C]J147, a new potential PET agent for imaging of Alzheimer’s disease

  摘要：

  J147 was synthesized from 2,4-dimethylphenylhydrazine hydrochloride and 3-methoxybenzaldehyde in 2 steps with 71% overall yield. The precursor desmethyl-J147 was synthesized from 3-hydroxybenzaldehyde and 2,4-dimethylphenylhydrazine hydrochloride in 4 steps with 63% overall yield. [C-11]J147 was prepared from desmethyl-J147 with [C-11]CH3OTf through O-[C-11] methylation and isolated by HPLC combined with solid-phase extraction (SPE) in 35-50% radiochemical yield based on [C-11]CO2 and decay corrected to end of bombardment (EOB), with 370-740 GBq/mu mol specific activity at EOB. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.031