2-甲基-1H-咪唑-4,5-二甲酰胺 | 858512-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲基-1H-咪唑-4,5-二甲酰胺
• 英文名称: 2-methyl-1H-imidazole-4,5-dicarboxylic acid diamide
• 英文别名: 2-methylimidazole-4,5-dicarboxamide；2-Methyl-1H-imidazol-4,5-dicarbonsaeure-diamid；2-methyl-1H-imidazole-4,5-dicarboxamide
• CAS: 858512-05-7
• 化学式: C₆H₈N₄O₂
• 分子量: 168.155
• InChiKey: SKOKBQDBVZFIGY-UHFFFAOYSA-N

物化性质

• 熔点：
  325 °C (decomp)
• 沸点：
  661.5±40.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-1H-咪唑-4,5-二甲酰胺 在 三氯氧磷 作用下， 生成 4,5-dicyano-2-methylimidazole
  参考文献：
  名称：

  Tamamushi, Yakugaku Zasshi, 1935, vol. 55, p. 1053,1056; dtsch. Ref. S. 202, 203

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methylimidazole-4,5-dicarboxylic acid diethyl ester 在 氨 、 水 作用下， 生成 2-甲基-1H-咪唑-4,5-二甲酰胺
  参考文献：
  名称：

  Tamamushi, Yakugaku Zasshi, 1935, vol. 55, p. 1053,1056; dtsch. Ref. S. 202, 203

  摘要：

  DOI：

文献信息

• In Situ Synthesis of an Imidazolate-4-amide-5-imidate Ligand and Formation of a Microporous Zinc-Organic Framework with H2-and CO2-Storage Ability
  作者：Franziska Debatin、Arne Thomas、Alexandra Kelling、Niklas Hedin、Zoltan Bacsik、Irena Senkovska、Stefan Kaskel、Matthias Junginger、Holger Müller、Uwe Schilde、Christian Jäger、Alwin Friedrich、Hans-Jürgen Holdt

  DOI：10.1002/anie.200906188

  日期：——

  walls are the structural and functional features responsible for the high capacity of a zinc–organic framework based on an imidazolate–amide–imidate ligand for the uptake of H2 and CO2 (see structure: orange Zn, blue N, red O, dark gray C, light gray H). The rigid and stable chelating ligand was synthesized in situ by partial hydrolysis of a dicyanoimidazole compound.

  带有极性壁的狭窄通道是结构和功能特征，是基于咪唑酸酯-酰胺-亚氨酸酯配体的锌-有机骨架吸收H 2和CO 2的高容量的原因（请参见结构：橙色Zn，蓝色N，红色O，深灰色C，浅灰色H）。刚性和稳定的螯合配体通过二氰基咪唑化合物的部分水解原位合成。
• Novel 2H-1,2,3-Triazole sodium complex from N-[2-amino-1,2-dicyanovinyl]alkanamides
  作者：A ALAZMI、P GEORGE、O ELDUSOUQUI

  DOI：10.1016/s0385-5414(07)81094-x

  日期：2007.10.1

  Diazotization at 0 degrees C of N-[2-amino-1,2-dicyanovinyl]ethanamide 2a or propanamide 2b prepared from diaminomaleonitrile (DAMN) I using aqueous acetic acid and NaNO2 solution furnished sodium complex 3. The X-ray structure of the complex 3 showed that it is a 1:1 mixture of the neutral 2H-triazole heterocycle 4ii and its anion deprotonated at the central (N) atom of the ring, together with a sodium counter ion and two coordinated water molecules. However, when the diazotization reaction was carried out in the presence of aqueous HCl, the product was 5-cyano-2H-[1,2,3]triazole-4-carboxylic acid amide monohydrate 4ii. Diazotization of DAMN 1 using aqueous HCl furnished 1H-1,2,3-triazole-4,5-dicarbonitrile 5, whereas with acetic acid there was no reaction, and hence no route analogous to that leading to complex 3. The structure of both complex 3 and the triazole monohydrate 4ii were solved using X-ray crystallography, and the compounds under study were fully characterized using spectroscopic techniques.
• AMIDO-SUBSTITUTED AZOLE COMPOUNDS
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3126337A2

  公开（公告）日：2017-02-08
• [EN] AMIDO-SUBSTITUTED AZOLE COMPOUNDS<br/>[FR] COMPOSÉS AZOLE AMIDO-SUBSTITUÉS
  申请人：BAYER PHARMA AG

  公开号：WO2015150449A2

  公开（公告）日：2015-10-08

  The present invention relates to amido-substituted azole compounds of general formula (I), in which X1, X2, R1, R2, R4, R5, R7 and R8 are as defined in the claims which are inhibitors of TNKS1 and/or TNKS2, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neoplasms, as a sole agent or in combination with other active ingredients.