2,6-bis<3,3-bis(methylthio)-1-oxo-2-propen-1-yl>pyridine | 78570-48-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-bis<3,3-bis(methylthio)-1-oxo-2-propen-1-yl>pyridine
• 英文别名: 2,6-bis<3,3-bis(methylthio)-1-oxopropen-1-yl>pyridine；Cqxbafqpkscqde-uhfffaoysa-；1-[6-[3,3-bis(methylsulfanyl)prop-2-enoyl]pyridin-2-yl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
• CAS: 78570-48-6
• 化学式: C₁₅H₁₇NO₂S₄
• 分子量: 371.569
• InChiKey: CQXBAFQPKSCQDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,6-bis<3,3-bis(methylthio)-1-oxo-2-propen-1-yl>pyridine 在 2,2,6,6-四甲基哌啶 、 bis(triphenylphosphine)nickel(II) chloride 、 potassium tert-butylate 、 ammonium acetate 、 甲基锂 、 溶剂黄146 作用下， 反应 44.75h， 生成 4'-methyl-4'''-(2-methoxyethyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine
  参考文献：
  名称：

  Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization

  摘要：

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.

  DOI：

  10.1021/ja00060a029
• 作为产物：
  描述：

  二硫化碳 、 2,6-二乙酰基吡啶 、 碘甲烷 在 sodium hydride 作用下， 生成 2,6-bis<3,3-bis(methylthio)-1-oxo-2-propen-1-yl>pyridine
  参考文献：
  名称：

  Synthesis of 2,6-disubstituted pyridines, polypyridinyls, and annulated pyridines

  摘要：

  DOI：

  10.1021/jo00137a001

文献信息

• Ketenedithioacetals as synthetic intermediates. A versatile synthesis of pyridenes, polypyridinyls, and pyrylium salts
  作者：Kevin T. Potts、Michael J. Cipullo、Philip Ralli、George Theodoridis

  DOI：10.1021/ja00402a062

  日期：1981.6
• Potts, Kevin T., Bulletin des Societes Chimiques Belges, 1990, vol. 99, # 9, p. 741 - 768
  作者：Potts, Kevin T.

  DOI：——

  日期：——
• POTTS K. T.; CIPULLO M. J.; RALLI P.; THEODORIDIS G., J. AMER. CHEM. SOC., 1981, 103, NO 12, 3585-3586
  作者：POTTS K. T.、 CIPULLO M. J.、 RALLI P.、 THEODORIDIS G.

  DOI：——

  日期：——
• POTTS, K. T.;CIPULLO, M. J.;RALLI, P.;THEODORIDIS, G., J. ORG. CHEM., 1982, 47, N 16, 3027-3038
  作者：POTTS, K. T.、CIPULLO, M. J.、RALLI, P.、THEODORIDIS, G.

  DOI：——

  日期：——
• Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization
  作者：Kevin T. Potts、Kimberly A. Gheysen Raiford、Majid Keshavarz-K

  DOI：10.1021/ja00060a029

  日期：1993.4

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.