(Z)-3-ethyl-5-(1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)-2-phenylethyl)-2,4-dimethyl-1H-pyrrole hydrochloride | 1219485-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (Z)-3-ethyl-5-(1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)-2-phenylethyl)-2,4-dimethyl-1H-pyrrole hydrochloride
• 英文别名: (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylethylidene]-3,5-dimethylpyrrole;hydrochloride
• CAS: 1219485-21-8
• 化学式: C₂₄H₃₀N₂*ClH
• 分子量: 382.977
• InChiKey: YCZQDAXCWXMMAM-WKKHQKTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.77
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  28.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  在 potassium tert-butylate 、 盐酸 作用下， 以 叔丁醇 、 乙醚 、 水 为溶剂， 反应 0.67h， 以88%的产率得到(Z)-3-ethyl-5-(1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)-2-phenylethyl)-2,4-dimethyl-1H-pyrrole hydrochloride
  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

文献信息

• Conversion of 4,4-Difluoro-4-bora-3a,4a-diaza-<i>s</i>-indacenes <b>(</b><i>F</i>-BODIPYs) to Dipyrrins with a Microwave-Promoted Deprotection Strategy
  作者：Sarah M. Crawford、Alison Thompson

  DOI：10.1021/ol902908j

  日期：2010.4.2

  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.