1-Methoxy-13a-methyl-3-phenyl-13aH-pyrido[1,2-a]pyrrolo[2,1-c]quinoxaline-10,11,12,13-tetracarboxylic acid tetramethyl ester | 80109-76-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Methoxy-13a-methyl-3-phenyl-13aH-pyrido[1,2-a]pyrrolo[2,1-c]quinoxaline-10,11,12,13-tetracarboxylic acid tetramethyl ester
• 英文别名: Tetramethyl 1-methoxy-13a-methyl-3-phenyl-13aH-pyrido(1,2-a)pyrrolo(2,1-c)quinoxaline-10,11,12,13-tetracarboxylate；tetramethyl 5-methoxy-7-methyl-3-phenyl-2,12-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,8,10,13,15-heptaene-8,9,10,11-tetracarboxylate
• CAS: 80109-76-8
• 化学式: C₃₁H₂₈N₂O₉
• 分子量: 572.571
• InChiKey: LSBIADMGSQPZHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-methoxy-4-methyl-1-phenylpyrrolo<1,2-a>quinoxaline 以2%的产率得到
  参考文献：
  名称：

  MATOBA, KATSUHIDE;ITOH, KENICHI;KONDO, KAKUYA;YAMAZAKI, TAKAO;NAGATA, MAS+, CHEM. AND PHARM. BULL., 1981, 29, N 9, 2442-2450

  摘要：

  DOI：

文献信息

• Acid-catalyzed cyclization of chalcones derived from various nitrogenous heteroaromatic compounds.
  作者：KATSUHIDE MATOBA、KENICHI ITOH、KAKUYA KONDO、TAKAO YAMAZAKI、MASANORI NAGATA

  DOI：10.1248/cpb.29.2442

  日期：——

  2-(2-Furfurylidene) acetylquinoxaline (Ia) and its 3-methyl analog (Ib) were cyclized to pyrrolo [1, 2-α] quinoxaline ring systems (IIa and IIb) by hydrochloric acid treatment. 2-(4-Methoxybenzylidene) acetylpyridine could be cyclized directly to the 2, 3-dihydroindolizine ring system (V) by treatment with perchloric acid. 2-Arylideneacetyl-3-methyl-quinoxalines (IX) also were cyclized to the corresponding pyrrolo [1, 2-α] quinoxaline systems by hydrochloric acid or perchloric acid. The cyclization of 2-(2-furfurylidene)-acetylquinoline (XI) was performed by using acetic anhydride in the presence of a catalytic amount of trifluoroacetic acid. 2-(2-Furfurylidene) acetylpyrazine (XIII) was cyclized easily by hydrochloric acid treatment. The structures of the adducts of these cyclic products with dimethyl acetylenedicarboxylate are discussed.

  2-(2-呋喃亚甲基)乙酰喹啉（Ia）及其3-甲基类似物（Ib）通过氯化氢处理环化形成吡咯[1, 2-α]喹啉环系（IIa和IIb）。2-(4-甲氧基苄亚甲基)乙酰吡啶可以通过高氯酸处理直接环化为2, 3-二氢喹唑啉环系（V）。2-芳基乙烯乙酰-3-甲基喹唑啉（IX）也通过氯化氢或高氯酸环化为相应的吡咯[1, 2-α]喹啉体系。2-(2-呋喃亚甲基)乙酰喹啉（XI）的环化则使用醋酸酐在微量三氟乙酸的催化下进行。2-(2-呋喃亚甲基)乙酰吡嗪（XIII）通过氯化氢处理容易环化。这些环状产物与二甲基乙炔二羧酸酯的加成物的结构进行了讨论。
• MATOBA, KATSUHIDE;ITOH, KENICHI;KONDO, KAKUYA;YAMAZAKI, TAKAO;NAGATA, MAS+, CHEM. AND PHARM. BULL., 1981, 29, N 9, 2442-2450
  作者：MATOBA, KATSUHIDE、ITOH, KENICHI、KONDO, KAKUYA、YAMAZAKI, TAKAO、NAGATA, MAS+

  DOI：——

  日期：——