3-bromo-2-chloro-1-methylquinolinium trifluoromethanesulfonate | 1263300-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-bromo-2-chloro-1-methylquinolinium trifluoromethanesulfonate
• 英文别名: 3-Bromo-2-chloro-1-methylquinolin-1-ium triflate；3-bromo-2-chloro-1-methylquinolin-1-ium;trifluoromethanesulfonate
• CAS: 1263300-33-9
• 化学式: CF₃O₃S*C₁₀H₈BrClN
• 分子量: 406.608
• InChiKey: JILDOSOAACSKFX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-bromo-2-chloro-1-methylquinolinium trifluoromethanesulfonate 在 水 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 3-溴-1-甲基-1H-喹啉-2-酮
  参考文献：
  名称：

  Highly efficient one-pot synthesis of D-ring chloro-substituted neocryptolepines via a condensation—Pd-catalyzed intramolecular direct arylation strategy

  摘要：

  D-ring chloro-substituted neocryptolepines have been synthesized in excellent yield starting from 3-bromo-2-chloro-1-methylquinolinium triflate via a one-pot condensation Pd-catalyzed intramolecular direct arylation strategy involving chloroanilines. The 3-bromo-2-chloro-1-methylquinolinium triflate was obtained via methylation of commercial 3-bromo-2-chloroquinoline with methyl triflate. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.077
• 作为产物：
  描述：

  3-溴-2-氯喹啉 、 三氟甲烷磺酸甲酯 以 甲苯 为溶剂， 反应 48.0h， 以90%的产率得到3-bromo-2-chloro-1-methylquinolinium trifluoromethanesulfonate
  参考文献：
  名称：

  Highly efficient one-pot synthesis of D-ring chloro-substituted neocryptolepines via a condensation—Pd-catalyzed intramolecular direct arylation strategy

  摘要：

  D-ring chloro-substituted neocryptolepines have been synthesized in excellent yield starting from 3-bromo-2-chloro-1-methylquinolinium triflate via a one-pot condensation Pd-catalyzed intramolecular direct arylation strategy involving chloroanilines. The 3-bromo-2-chloro-1-methylquinolinium triflate was obtained via methylation of commercial 3-bromo-2-chloroquinoline with methyl triflate. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.077

文献信息

• Highly efficient one-pot synthesis of D-ring chloro-substituted neocryptolepines via a condensation—Pd-catalyzed intramolecular direct arylation strategy
  作者：Steven Hostyn、Kourosch Abbaspour Tehrani、Filip Lemière、Veerle Smout、Bert U.W. Maes

  DOI：10.1016/j.tet.2010.10.077

  日期：2011.1

  D-ring chloro-substituted neocryptolepines have been synthesized in excellent yield starting from 3-bromo-2-chloro-1-methylquinolinium triflate via a one-pot condensation Pd-catalyzed intramolecular direct arylation strategy involving chloroanilines. The 3-bromo-2-chloro-1-methylquinolinium triflate was obtained via methylation of commercial 3-bromo-2-chloroquinoline with methyl triflate. (C) 2010 Elsevier Ltd. All rights reserved.