1,1'-di-κ-(3-ethyl-2,4-dimethyl)pyrrolylstyrene | 1134630-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,1'-di-κ-(3-ethyl-2,4-dimethyl)pyrrolylstyrene
• 英文别名: 4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylethenyl]-3,5-dimethyl-1H-pyrrole
• CAS: 1134630-71-9
• 化学式: C₂₄H₃₀N₂
• 分子量: 346.516
• InChiKey: YZVQHFSPOBXOHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  31.6
• 氢给体数：
  2
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1'-di-κ-(3-ethyl-2,4-dimethyl)pyrrolylstyrene 在 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 κ2-(4,4'-diethyl-3,3',5,5'-tetramethyl-meso-benzyldipyrrin) hydrochloride
  参考文献：
  名称：

  Formation of Vinylic Dipyrroles by the Deprotonation of meso-Alkyl and meso-Benzyl Dipyrrin HCl Salts

  摘要：

  Under basic conditions, dipyrrin salts bearing alkyl and benzyl groups at the meso-position undergo deprotonation to give vinylic dipyrroles, rather than the corresponding free-base dipyrrins. The deprotonation is reversible and quantitatively returns the dipyrrinato framework under acidic conditions.

  DOI：

  10.1021/jo900064y
• 作为产物：
  描述：

  (Z)-3-ethyl-5-(1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)-2-phenylethyl)-2,4-dimethyl-1H-pyrrole hydrochloride 以 叔丁醇 为溶剂， 生成 1,1'-di-κ-(3-ethyl-2,4-dimethyl)pyrrolylstyrene
  参考文献：
  名称：

  Conversion of 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes (F-BODIPYs) to Dipyrrins with a Microwave-Promoted Deprotection Strategy

  摘要：

  4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes (F-BODIPYs) have been deprotected to give the corresponding free-base dipyrrins by heating a solution of the F-BODIPY In tert-butanol under 600 W of microwave irradiation in the presence of 6 equiv of potassium tert-butoxide for 40 min at 92 degrees C. Investigations of BODIPY modification at the meso position have also been undertaken and a meso-butyl product has been isolated.

  DOI：

  10.1021/ol902908j