2-甲氧基-5-硝基苯甲酰胺 | 59263-62-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲氧基-5-硝基苯甲酰胺
• 英文名称: 2-methoxy-5-nitro-benzamide
• 英文别名: 2-methoxy-5-nitrobenzamide；2-methoxy-5-nitro-benzoic acid amide；2-Methoxy-5-nitro-benzoesaeure-amid；5-Nitro-2-methoxy-benzamid；2-Methoxy-5-nitro-benzamid
• CAS: 59263-62-6
• 化学式: C₈H₈N₂O₄
• mdl: MFCD11505964
• 分子量: 196.163
• InChiKey: QIPLSXGSOGMWGL-UHFFFAOYSA-N

物化性质

• 熔点：
  213 °C(Solv: acetic acid (64-19-7))
• 沸点：
  336.3±27.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  98.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-甲氧基-5-硝基苯甲酰胺 在 氢氧化钾 作用下， 生成 5-硝基水杨酸
  参考文献：
  名称：

  Hazard identification and risk assessment procedure for genetically modified plants in the field—GMHAZID

  摘要：

  The safe application of genetically modified organisms (GMOs) requires a risk assessment prior to their proposed use. Based on methods from the chemical industry, we developed a hazard identification procedure for the risk assessment of field tests with genetically modified plants. This risk assessment method, GMHAZID, is carried out in the form of guided brainstorm sessions. GMHAZID was tested with a case study for which a risk assessment had previously been made, and the results of the assessments were compared. The results showed that some new hazards potentially leading to uncontrolled spreading, in addition to those from the previous assessment, were identified using GMHAZID. GMHAZID also recognised some hazards leading to failures in the field experiments. We suggest that GMHAZID provides systematics, reliability, and transparency to the risk assessment procedure.

  DOI：

  10.1007/bf02987457
• 作为产物：
  描述：

  2-甲氧基-5-硝基苯甲腈 在 氢氧化钾 、 双氧水 作用下， 生成 2-甲氧基-5-硝基苯甲酰胺
  参考文献：
  名称：

  Blanksma, Recueil des Travaux Chimiques des Pays-Bas, 1946, vol. 65, p. 207,210

  摘要：

  DOI：

文献信息

• NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS
  申请人：Lori Franco

  公开号：US20140057911A1

  公开（公告）日：2014-02-27

  Certain 4,6-disubstituted aminopyrimidine derivatives having both aromatic and halogenic substituents.

  某些具有芳香族和卤素取代基的4,6-二取代氨基嘧啶衍生物。
• Transformations of ortho-methoxyaryl(hetaryl)carboxamides into quinazolin-4-one and pyrido[2,3-d]pyrimidin-4-one derivatives
  作者：O. B. Ryabova、V. A. Makarov、L. M. Alekseeva、A. S. Shashkov、V. V. Chernyshev、V. G. Granik

  DOI：10.1007/s11172-006-0057-x

  日期：2005.8

  undergo condensation accompanied by the pyrimidine ring closure on refluxing in an excess of sodium methoxide to form bicyclic products, viz., quinazolin-4-one, pyrido[2,3-d]pyrimidin-4-one, and pyrido[4,3-d]pyrimidin-4-one derivatives. The scheme of cyclization processes was proposed. The structures of the reaction products were confirmed by a number of physicochemical data, including X-ray diffraction

  摘要在环的 3 位和/或 5 位含有一个或两个硝基的邻氯芳基（杂芳基）甲酰胺在过量甲醇钠回流时缩合伴随嘧啶环闭合形成双环产物，即喹唑啉-4 -one、pyrido[2,3-d]pyrimidin-4-one 和pyrido[4,3-d]pyrimidin-4-one 衍生物。提出了环化工艺方案。反应产物的结构由许多物理化学数据证实，包括 X 射线衍射分析。
• Pyrrole Derivatives As Pharmaceutical Agents
  申请人：Canne Bannen Lynne

  公开号：US20080234270A1

  公开（公告）日：2008-09-25

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  提供了用于调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性的化合物和组合物，以及用于治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或紊乱的症状的方法。
• [EN] UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES<br/>[FR] DERIVES DE SULFONAMIDE SUBSTITUES PAR UREE
  申请人：BIOTIE THERAPIES CORP

  公开号：WO2010146236A1

  公开（公告）日：2010-12-23

  The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I').

  本发明涉及含有脲基的磺胺类衍生物。该发明还涉及将这些衍生物用作胶原受体整合素的抑制剂，特别是α2β1整合素抑制剂，例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中使用，其用作药物，例如用于治疗血栓形成、炎症、癌症和血管疾病，含有它们的药物组合物以及制备它们的方法。这些磺胺类衍生物具有一般式(I)或(I')。
• Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences
  作者：Xianghui Li、Yiming Jia、Yi Ren、Youjia Wang、Jinchuan Hu、Teng Ma、Wen Feng、Lihua Yuan

  DOI：10.1039/c3ob40998h

  日期：——

  A new class of imide- and urea-based hetero-strands with a quadruple ADDA/DAAD hydrogen-bond array was designed and synthesized from easily accessible starting materials. The molecular recognition between the two different strands depends highly on the substituents and the linker between neighboring hydrogen-bonds, which results in the stability of these heteroduplexes varying from 103 to >105 M−1 in apolar solvents. In particular, an increase of the association constant by up to one order of magnitude was observed by derivatizing the ADDA arrays at the termini with electron-withdrawing groups. Molecular modelling of the representative complementary complexes reveals the binding mode of four hydrogen-bond arrays that agrees with the matched pair.

  利用容易获得的起始材料，设计并合成了一类具有四重 ADDA/DAAD 氢键阵列的新型亚胺基和脲基异质链。两条不同链之间的分子识别在很大程度上取决于取代基和相邻氢键之间的连接物，这导致这些异质双链在无极性溶剂中的稳定性从 103 M-1 到 >105 M-1 不等。特别是，通过在 ADDA 阵列的末端衍生出电子吸收基团，可以观察到关联常数增加了一个数量级。代表性互补复合物的分子建模揭示了四个氢键阵列的结合模式，这与配对模式一致。