1,2-Dimethylimidazol-4-carbonsaeure-methylester | 72130-99-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-Dimethylimidazol-4-carbonsaeure-methylester
• 英文别名: 1,2-dimethyl-4-methoxycarbonylimidazole；methyl 1,2-dimethyl-1H-imidazole-4-carboxylate；methyl 1,2-dimethylimidazole-4-carboxylate
• CAS: 72130-99-5
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: NEPDHPWXMJYSMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2-Dimethylimidazol-4-carbonsaeure-methylester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 20.5h， 生成 3a,4-Dimethyl-3-phenyl-2-phenylcarbamoyloxy-3a,4-dihydro-3H-imidazo[1,2-b][1,2,4]triazole-6-carboxylic acid methyl ester
  参考文献：
  名称：

  1,4- and 1,3-Dipolar Reactivity of α-Alkoxycarbonylcycloimmonium N-Aminides with Dipolarophiles:  Synthesis of New Imidazo[2,1-f][1,2,4]triazinium Inner Salts

  摘要：

  2-Alkoxycarbonylazolium N-aminides are interesting species, as they have the potential to act as efficient 1,4-dipole equivalents when they react with heterocumulenes, such as iso(thio)cyanates and carbodiimides. These reactions give heterobetaines containing the imidazo[2,1-f][1,2,4]-triazinium system, in a formal [4 + 2] cyclocondensation process. These N-aminides, however, can also behave as 1,3-dipoles when they react with isocyanates to afford a cycloadduct that, depending on the position of alkoxycarbonyl group, can undergo a reversion process or a ring expansion to the more stable heterobetaine system.

  DOI：

  10.1021/jo015983c
• 作为产物：
  描述：

  3-(二甲基氨基)-2-异氰基-2-丙烯酸甲酯 、 碘乙烷 反应 12.0h， 生成 1,2-Dimethylimidazol-4-carbonsaeure-methylester 、 2-Ethyl-1-methylimidazol-4-carbonsaeure-methylester
  参考文献：
  名称：

  Lau, Hans-Hermann; Schoellkopf, Ulrich, Liebigs Annalen der Chemie, 1982, # 11, p. 2093 - 2095

  摘要：

  DOI：

文献信息

• TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR
  申请人：Genentech, Inc.

  公开号：US20130217666A1

  公开（公告）日：2013-08-22

  The invention relates to novel compounds of Formula I: wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , R 2 , R 4 , R 5 , R 6 , R 7 , R 8 and subscripts m and n each has the meaning as described herein. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及公式I的新化合物：其中A1，A2，A3，A4，A5，A6，R2，R4，R5，R6，R7，R8和下标m和n的含义如此处所述。公式I的化合物及其制药组合物在治疗观察到NF-kB信号不良或过度激活的疾病和障碍方面是有用的。
• US9034866B2
  申请人：——

  公开号：US9034866B2

  公开（公告）日：2015-05-19