Methanone, phenyl[4-phenyl-2-(trimethylstannyl)-1H-pyrrol-3-yl]- | 185245-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methanone, phenyl[4-phenyl-2-(trimethylstannyl)-1H-pyrrol-3-yl]-
• 英文别名: phenyl-(4-phenyl-2-trimethylstannyl-1H-pyrrol-3-yl)methanone
• CAS: 185245-25-4
• 化学式: C₂₀H₂₁NOSn
• 分子量: 410.103
• InChiKey: KTUQMYPNPYGHBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  对甲基苯磺酰甲基异腈 、 三甲基氯化锡 、 反式-查耳酮 在 (n)BuLi 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到Methanone, phenyl[4-phenyl-2-(trimethylstannyl)-1H-pyrrol-3-yl]-
  参考文献：
  名称：

  An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone

  摘要：

  The structure of the title compound, tert-butyl 3-benzoyl-4-phenyl-2- (trimethylstannyl)pyrrole-N-carboxylate, [Sn(CH3)(3)(C22H20NO3)], is one of the first in which the stannyl group is attached to a C atom of the pyrrole ring, There appears to be an intramolecular interaction between the Sn atom and the carbonyl O atoms of both the benzoyl and the tert-butoxycarbonyl substituents. The compound was prepared by a base-induced cycloaddition of a stannylated derivative of tosylmethyl isocyanide to chalcone.

  DOI：

  10.1107/s0108270196009286

文献信息

• An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone
  作者：A. Meetsma、H. P. Dijkstra、R. ten Have、A. M. van Leusen

  DOI：10.1107/s0108270196009286

  日期：1996.11.15

  The structure of the title compound, tert-butyl 3-benzoyl-4-phenyl-2- (trimethylstannyl)pyrrole-N-carboxylate, [Sn(CH3)(3)(C22H20NO3)], is one of the first in which the stannyl group is attached to a C atom of the pyrrole ring, There appears to be an intramolecular interaction between the Sn atom and the carbonyl O atoms of both the benzoyl and the tert-butoxycarbonyl substituents. The compound was prepared by a base-induced cycloaddition of a stannylated derivative of tosylmethyl isocyanide to chalcone.