phenyl-2 thieno<3,4-b>pyrazine | 90070-12-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: phenyl-2 thieno<3,4-b>pyrazine
• 英文别名: 2-Phenylthieno[3,4-b]pyrazine；3-phenylthieno[3,4-b]pyrazine
• CAS: 90070-12-5
• 化学式: C₁₂H₈N₂S
• 分子量: 212.275
• InChiKey: JAWKWOQUGKLQKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  phenyl-2 thieno<3,4-b>pyrazine 以 甲醇 、 水 为溶剂， 以81.6%的产率得到2,7-Dihydro-4-phenylthieno<3,4-b>pyrazine
  参考文献：
  名称：

  Electrochemical and chemical reduction of furopyrazines, thienopyrazines, furoquinoxalines and thienoquinoxalines

  摘要：

  The electrochemical reduction of furopyrazines, thienopyrazines, furoquinoxalines, and thienoquinoxalines was investigated in protic and aprotic mediums. The thieno[2,3-b]pyrazines and the thieno[3,4-b]pyrazines both lead, in aqueous medium, to a dihydro compound where the two nitrogen atoms of the pyrazine ring are hydrogenated. These primary reduction products isomerize in different ways: in the [2,3-b] series the thiophene ring is reduced while in the [3,4-b] series the pyrazine ring is reduced. These results can be rationalized on the basis of quantum calculations of the energies of the different isomers. These calculations also permit the explanation of the different reducibility between the two series of compounds.

  DOI：

  10.1021/jo00016a008
• 作为产物：
  描述：

  3,4-二氨基噻吩二氢溴酸盐 、 苯基丙醇水合物 在 sodium carbonate 作用下， 以 水 为溶剂， 以85%的产率得到phenyl-2 thieno<3,4-b>pyrazine
  参考文献：
  名称：

  Outurquin, Francis; Paulmier, Claude, Bulletin de la Societe Chimique de France, 1983, vol. 2, # 5-6, p. 159 - 163

  摘要：

  DOI：

文献信息

• OUTURQUIN, F.;PAULMIER, C., BULL. SOC. CHIM. FR., 1983, N 5-6, 159-163
  作者：OUTURQUIN, F.、PAULMIER, C.

  DOI：——

  日期：——
• Outurquin, Francis; Paulmier, Claude, Bulletin de la Societe Chimique de France, 1983, vol. 2, # 5-6, p. 159 - 163
  作者：Outurquin, Francis、Paulmier, Claude

  DOI：——

  日期：——
• Electrochemical and chemical reduction of furopyrazines, thienopyrazines, furoquinoxalines and thienoquinoxalines
  作者：Joseph Armand、Christian Bellec、Line Boulares、Patrick Chaquin、Daniel Masure、Jean Pinson

  DOI：10.1021/jo00016a008

  日期：1991.8

  The electrochemical reduction of furopyrazines, thienopyrazines, furoquinoxalines, and thienoquinoxalines was investigated in protic and aprotic mediums. The thieno[2,3-b]pyrazines and the thieno[3,4-b]pyrazines both lead, in aqueous medium, to a dihydro compound where the two nitrogen atoms of the pyrazine ring are hydrogenated. These primary reduction products isomerize in different ways: in the [2,3-b] series the thiophene ring is reduced while in the [3,4-b] series the pyrazine ring is reduced. These results can be rationalized on the basis of quantum calculations of the energies of the different isomers. These calculations also permit the explanation of the different reducibility between the two series of compounds.