1-Chloro-2-(2-oxo-2-phenyl-ethyl)-isoquinolinium; bromide | 66088-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Chloro-2-(2-oxo-2-phenyl-ethyl)-isoquinolinium; bromide
• 英文别名: 2-(1-chloroisoquinolin-2-ium-2-yl)-1-phenylethanone;bromide
• CAS: 66088-68-4
• 化学式: Br*C₁₇H₁₃ClNO
• 分子量: 362.653
• InChiKey: UEHSORVHBFAREJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.67
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  21
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Chloro-2-(2-oxo-2-phenyl-ethyl)-isoquinolinium; bromide 生成 [(11R,12R)-17-aza-10-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,13,15-heptaen-11-yl]-phenylmethanone;perchlorate
  参考文献：
  名称：

  DUCHARDT K. H.; KROEHNKE F., J. LIEBIGS ANN. CHEM. , 1977, NO 10, 1692-1697

  摘要：

  DOI：
• 作为产物：
  描述：

  1-氯异喹啉 、 2-溴苯乙酮 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以70%的产率得到1-Chloro-2-(2-oxo-2-phenyl-ethyl)-isoquinolinium; bromide
  参考文献：
  名称：

  Novel Synthesis of Pyrrolo[2,1-a]isoquinoline Using the Reaction of Isoquinolinium Salts with Active Methylene Compounds

  摘要：

  2-Alkyl-1-methylthioisoquinolinium salts were easily prepared from 2alkyl-1(2H)-isoquinolones via 2-alkyl-1(2H)-thioisoquinolones in two steps. Under mild conditions, the reaction of 2-alkyl-1-methylthioisoquinolinium salts with active methylene compounds in the presence of sodium hydride afforded 2-alkyl-1-(substituted methylene)isoquinolines in good yields. The cyclization of 2-benzylisoquinolines using acetic anhydride produced the pyrrolo[2,1-a]isoquinolines. Further, the reaction of 1-chloro-2-phenacylisoquinolinium salt with active methylene compounds afforded the pyrrolo[2,1-a]isoquinolines in one pot.

  DOI：

  10.3987/com-00-9115

文献信息

• Novel Synthesis of Pyrrolo[2,1-a]isoquinoline Using the Reaction of Isoquinolinium Salts with Active Methylene Compounds
  作者：Reiko Fujita、Noriyuki Watanabe、Hiroshi Tomisawa

  DOI：10.3987/com-00-9115

  日期：——

  2-Alkyl-1-methylthioisoquinolinium salts were easily prepared from 2alkyl-1(2H)-isoquinolones via 2-alkyl-1(2H)-thioisoquinolones in two steps. Under mild conditions, the reaction of 2-alkyl-1-methylthioisoquinolinium salts with active methylene compounds in the presence of sodium hydride afforded 2-alkyl-1-(substituted methylene)isoquinolines in good yields. The cyclization of 2-benzylisoquinolines using acetic anhydride produced the pyrrolo[2,1-a]isoquinolines. Further, the reaction of 1-chloro-2-phenacylisoquinolinium salt with active methylene compounds afforded the pyrrolo[2,1-a]isoquinolines in one pot.
• DUCHARDT K. H.; KROEHNKE F., J. LIEBIGS ANN. CHEM. <JLAC-BF>, 1977, NO 10, 1692-1697
  作者：DUCHARDT K. H.、 KROEHNKE F.

  DOI：——

  日期：——