2-[1-(3,5-Dimethyl-2H-pyrrol-2-ylidene)ethyl]-3,5-dimethyl-1H-pyrrole | 749175-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-[1-(3,5-Dimethyl-2H-pyrrol-2-ylidene)ethyl]-3,5-dimethyl-1H-pyrrole
• 英文别名: 2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole
• CAS: 749175-19-7
• 化学式: C₁₄H₁₈N₂
• 分子量: 214.31
• InChiKey: SKCQXLRUKOVDAF-UHFFFAOYSA-N

物化性质

• 沸点：
  352.7±42.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲醇 、 8-(acetoxymethyl)-1,3,5,7-tetramethylpyrromethene fluoroborate 以 氯仿 为溶剂， 生成 2-[1-(3,5-Dimethyl-2H-pyrrol-2-ylidene)ethyl]-3,5-dimethyl-1H-pyrrole 、 4,4-difluoro-8-methoxymethyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene 、 、
  参考文献：
  名称：

  BODIPY-Derived Photoremovable Protecting Groups Unmasked with Green Light

  摘要：

  Photoremovable protecting groups derived from meso-substituted BODIPY dyes release acetic acid with green wavelengths >500 nm. Photorelease is demonstrated in cultured S2 cells. The photocaging structures were identified by our previously proposed strategy of computationally searching for carbocations with low-energy diradical states as a possible indicator of a nearby productive conical intersection. The superior optical properties of these photocages make them promising alternatives to the popular o-nitrobenzyl photocage systems.

  DOI：

  10.1021/jacs.5b01297

文献信息

• BODIPY-Derived Photoremovable Protecting Groups Unmasked with Green Light
  作者：Pratik P. Goswami、Aleem Syed、Christie L. Beck、Toshia R. Albright、Kaitlyn M. Mahoney、Ryan Unash、Emily A. Smith、Arthur H. Winter

  DOI：10.1021/jacs.5b01297

  日期：2015.3.25

  Photoremovable protecting groups derived from meso-substituted BODIPY dyes release acetic acid with green wavelengths >500 nm. Photorelease is demonstrated in cultured S2 cells. The photocaging structures were identified by our previously proposed strategy of computationally searching for carbocations with low-energy diradical states as a possible indicator of a nearby productive conical intersection. The superior optical properties of these photocages make them promising alternatives to the popular o-nitrobenzyl photocage systems.