3-ethoxycarbonyl-1-methylpyridinium chloride | 56338-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-ethoxycarbonyl-1-methylpyridinium chloride
• 英文别名: Nicotinsaeureethylester-chlormethylat；1-methylnicotinic acid ethyl ester chloride；Ethyl 1-methylpyridin-1-ium-3-carboxylate;chloride
• CAS: 56338-90-0
• 化学式: C₉H₁₂NO₂*Cl
• 分子量: 201.653
• InChiKey: JOCPTLRRFHIJPY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.31
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-ethoxycarbonyl-1-methylpyridinium chloride 在 乙醇 、 铂 作用下， 生成 1-甲基-3-哌啶甲酸乙酯
  参考文献：
  名称：

  Sugimoto; Kugita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 66,70

  摘要：

  DOI：
• 作为产物：
  描述：

  烟酸乙酯 在 Amberlite IRA-900 (chloride form) 作用下， 以 水 、 苯 为溶剂， 反应 29.0h， 生成 3-ethoxycarbonyl-1-methylpyridinium chloride
  参考文献：
  名称：

  Synthesis and in vitro antitumor activity of novel 2-alkyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium and 2-alkylellipticin-2-ium chloride derivatives

  摘要：

  Twenty-one types of novel ellipticine derivatives and pyridocarbazoles (5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazoles) with a nitrosourea moiety, linked by an oxydiethylene unit at the 2 position, were synthesized, and their cytotoxicity against HeLa S-3 cells was evaluated. Some of these new compounds exhibited potent antitumor activity by comparison with that of ellipticine. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.032
• 作为试剂：
  描述：

  2-methyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium iodide 在 红铝 、 3-ethoxycarbonyl-1-methylpyridinium chloride 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 、 甲醇 为溶剂， 反应 11.0h， 以84%的产率得到2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide
  参考文献：
  名称：

  Synthesis and in vitro antitumor activity of novel 2-alkyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium and 2-alkylellipticin-2-ium chloride derivatives

  摘要：

  Twenty-one types of novel ellipticine derivatives and pyridocarbazoles (5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazoles) with a nitrosourea moiety, linked by an oxydiethylene unit at the 2 position, were synthesized, and their cytotoxicity against HeLa S-3 cells was evaluated. Some of these new compounds exhibited potent antitumor activity by comparison with that of ellipticine. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.032

文献信息

• LAMBRECHT G.; MUTSCHLER E., ARCH. PHARM. <APBD-AJ>, 1975, 308, NO 6, 455-459
  作者：LAMBRECHT G.、 MUTSCHLER E.

  DOI：——

  日期：——
• Synthesis and in vitro antitumor activity of novel 2-alkyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium and 2-alkylellipticin-2-ium chloride derivatives
  作者：Ryota Mori、Asako Kato、Kousuke Komenoi、Haruaki Kurasaki、Touru Iijima、Masashi Kawagoshi、Y.B. Kiran、Sho Takeda、Norio Sakai、Takeo Konakahara

  DOI：10.1016/j.ejmech.2014.05.032

  日期：2014.7

  Twenty-one types of novel ellipticine derivatives and pyridocarbazoles (5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazoles) with a nitrosourea moiety, linked by an oxydiethylene unit at the 2 position, were synthesized, and their cytotoxicity against HeLa S-3 cells was evaluated. Some of these new compounds exhibited potent antitumor activity by comparison with that of ellipticine. (C) 2014 Elsevier Masson SAS. All rights reserved.
• Sugimoto; Kugita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 66,70
  作者：Sugimoto、Kugita

  DOI：——

  日期：——