Ethyl 3,4-dimethoxybenzimidic hydrochloride | 13602-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 3,4-dimethoxybenzimidic hydrochloride
• 英文别名: ethyl 3,4-dimethoxybenzimidate hydrochloride；3,4-dimethoxy-benzimidic acid ethyl ester; hydrochloride；3,4-Dimethoxy-benzimidsaeure-aethylester; Hydrochlorid；Ethyl 3,4-dimethoxybenzene-1-carboximidate hydrochloride；ethyl 3,4-dimethoxybenzenecarboximidate;hydrochloride
• CAS: 13602-19-2
• 化学式: C₁₁H₁₅NO₃*ClH
• 分子量: 245.706
• InChiKey: HFWCBOCAPKPKFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 3,4-dimethoxybenzimidic hydrochloride 在 氨 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 24.0h， 以91%的产率得到3,4-二甲氧基苄脒盐酸盐
  参考文献：
  名称：

  Facile synthesis of 3,5-diaryl-1,2,4-triazoles via copper-catalyzed domino nucleophilic substitution/oxidative cyclization using amidines or imidates as substrates

  摘要：

  Two methods for the synthesis of 3,5-diaryl-1,2,4-triazoles, both domino reactions, are reported. The first procedure, the Cu(OTf)(2)-catalyzed reaction between two amidines using NaHCO3 as a base, 1,10-phenanthroline as an additive and K-3[Fe(CN)(6)]/atmospheric oxygen as the oxidant, delivers 3,5-diaryl-1,2,4-triazoles with yields up to 68%. The second procedure for the synthesis of 3,5-diaryl-1,2,4-triazoles with yields up to 64% rests on the Cu(OTf)(2)-catalyzed reaction between two imidates and ammonium carbonate. This method features the formation of three bonds in a single synthetic step. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.01.019
• 作为产物：
  描述：

  3,4-二甲氧基苄腈 、 乙醇 在 乙酰氯 作用下， 反应 48.0h， 以83%的产率得到Ethyl 3,4-dimethoxybenzimidic hydrochloride
  参考文献：
  名称：

  Facile synthesis of 3,5-diaryl-1,2,4-triazoles via copper-catalyzed domino nucleophilic substitution/oxidative cyclization using amidines or imidates as substrates

  摘要：

  Two methods for the synthesis of 3,5-diaryl-1,2,4-triazoles, both domino reactions, are reported. The first procedure, the Cu(OTf)(2)-catalyzed reaction between two amidines using NaHCO3 as a base, 1,10-phenanthroline as an additive and K-3[Fe(CN)(6)]/atmospheric oxygen as the oxidant, delivers 3,5-diaryl-1,2,4-triazoles with yields up to 68%. The second procedure for the synthesis of 3,5-diaryl-1,2,4-triazoles with yields up to 64% rests on the Cu(OTf)(2)-catalyzed reaction between two imidates and ammonium carbonate. This method features the formation of three bonds in a single synthetic step. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.01.019

文献信息

• Reverse-benzamidine antimalarial agents: Design, synthesis, and biological evaluation
  作者：Olivier Berger、Sharon Wein、Jean-Frederic Duckert、Marjorie Maynadier、Siham El Fangour、Roger Escale、Thierry Durand、Henri Vial、Yen Vo-Hoang

  DOI：10.1016/j.bmcl.2010.07.124

  日期：2010.10

  In the frame of the development of bis-cationic choline analogs, the RSA of bis-N-alkylamidines were studied and a new series of reverse-benzamidine derivatives was designed. Contrary to the lipophilicity, the basicity of alkylamidine compounds directly influences their antimalarial potencies. (C) 2010 Elsevier Ltd. All rights reserved.
• Ebrahimi, S. E. Sadat; Wilton, Amanda N.; Douglas, Kenneth T., Chemical Communications, 1997, # 4, p. 385 - 386
  作者：Ebrahimi, S. E. Sadat、Wilton, Amanda N.、Douglas, Kenneth T.

  DOI：——

  日期：——