N-甲基-3,4,5,6-四氢邻苯二甲酰亚胺 | 28839-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: N-甲基-3,4,5,6-四氢邻苯二甲酰亚胺
• 中文别名: 琥珀酸二异辛酯
• 英文名称: 2-methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
• 英文别名: N-methylcyclohex-1-ene-1,2-dicarboximide；N-Methyl-3,4,5,6-tetrahydrophthalimide；2-methyl-4,5,6,7-tetrahydro-isoindole-1,3-dione；N-Methyl-3,4,5,6-tetrahydrophthalimid；N-Methylcyclohexen-1,2-dicarboximid
• CAS: 28839-49-8
• 化学式: C₉H₁₁NO₂
• mdl: MFCD01735126
• 分子量: 165.192
• InChiKey: KQPBJYADGVCRIC-UHFFFAOYSA-N

物化性质

• 沸点：
  293.03°C (rough estimate)
• 密度：
  1.1603 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2925190090

反应信息

• 作为反应物：
  描述：

  N-甲基-3,4,5,6-四氢邻苯二甲酰亚胺 生成 N,-N'-Dimethylpyromellitic acid diimide
  参考文献：
  名称：

  COBB R. L.; MAHAN J. E., J. ORG. CHEM. , 1977, 42, NO 17, 2829-2832

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-4,5,6,7-tetrahydroisoindole 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到N-甲基-3,4,5,6-四氢邻苯二甲酰亚胺
  参考文献：
  名称：

  钯催化氢化物还原形成4,5,6,7-四氢异吲哚

  摘要：

  制备了取代的1，3-二氢-2H-异吲哚（2，异吲哚啉），并进行了钯催化的甲酸还原。烷基异吲哚啉被还原为4,5,6,7-四氢-2H-异吲哚（1）。对于5-甲氧基异吲哚啉仅观察到部分还原，并且4-甲氧基-，5-碳甲氧基-，氨基和酰胺基异吲哚啉对该反应是惰性的。将卤素取代的异吲哚啉脱卤并还原为4,5,6,7-四氢-2H-异吲哚。异吲哚24也被还原为异吲哚啉和4,5,6,7-四氢-2H-异吲哚的混合物。相反，2,3-二氢-1 H-吲哚21进行脱氢反应得到热力学稳定的吲哚。理论计算表明，异吲哚和吲哚之间的芳香性存在显着差异，与观察到的反应性差异相对应。在NBS和空气存在下，将四氢-2 H-异吲哚1氧化为4,5,6,7-四氢异吲哚-1,3-二酮。

  DOI：

  10.1021/jo7016845

文献信息

• Stereoselective Intermolecular [2+2] photocycloaddition reactions of tetrahydrophthalic anhydride and derivatives with alkenols and alkynols
  作者：Kevin I. Booker-Milburn、Justin K. Cowell、F. Delgado Jiménez、Andrew Sharpe、Andrew J. White

  DOI：10.1016/s0040-4020(99)00250-1

  日期：1999.4

  Intermolecular [2+2] photocycloaddition of a variety of alken- and alkyn-3-ols with 3,4,5,6-tetrahydrophthalic anhydride (THPA) and the related imide (THPI) gave the corresponding cyclobutanes and cyclobutenes in high yield. Irradiation times were relatively short and stereoselectivities as high as for the cyclobutane examples.

  各种烯烃和炔-3-醇与3,4,5,6-四氢邻苯二甲酸酐（THPA）和相关酰亚胺（THPI）的分子间[2 + 2]光环加成反应可高产率地得到相应的环丁烷和环丁烯。辐射时间相对较短，立体选择性与环丁烷实例一样高。
• HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR ENHANCED SOLAR HARVESTING EFFICIENCY
  申请人：NITTO DENKO CORPORATION

  公开号：US20130074927A1

  公开（公告）日：2013-03-28

  The invention provides highly fluorescent materials comprising a single (n=0) or a series (n=1, 2, etc.) of benzo heterocyclic systems. The photo-stable highly luminescent chromophores are useful in various applications, including in wavelength conversion films. Wavelength conversion films have the potential to significantly enhance the solar harvesting efficiency of photovoltaic or solar cell devices.

  这项发明提供了包括单个（n=0）或一系列（n=1、2等）苯并杂环系统的高荧光材料。这种光稳定的高发光色团在各种应用中很有用，包括波长转换膜。波长转换膜有潜力显著提高光伏或太阳能电池器件的太阳能收集效率。
• [EN] PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES<br/>[FR] DÉRIVÉS PYRAZOLO-TRIAZINE PHARMACEUTIQUEMENT ACTIFS
  申请人：LEAD DISCOVERY CENTER GMBH

  公开号：WO2013128029A1

  公开（公告）日：2013-09-06

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑咯[1,5-a][1,3,5]三唑衍生物和/或其药用可接受盐，这些衍生物的用途作为药用活性剂，特别用于预防和/或治疗传染病，包括机会性感染病、免疫性疾病、自身免疫性疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑咯[1,5-a][1,3,5]三唑衍生物和/或其药用可接受盐的药物组合物。此外，本发明涉及所述吡唑咯[1,5-a][1,3,5]三唑衍生物作为蛋白激酶抑制剂的用途。
• Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhibitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2634189A1

  公开（公告）日：2013-09-04

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用盐，这些衍生物作为药用活性剂的应用，特别是用于预防和/或治疗传染病，包括机会性感染病、免疫性疾病、自身免疫疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用盐的药物组合物。此外，本发明涉及所述吡唑并[1,5-a][1,3,5]三嗪衍生物作为蛋白激酶抑制剂的应用。
• Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2634190A1

  公开（公告）日：2013-09-04

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用可接受盐，以及这些衍生物作为药用活性剂的用途，特别是用于预防和/或治疗传染病，包括机会性疾病、免疫疾病、自身免疫疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用可接受盐的药物组合物。此外，本发明涉及将所述吡唑并[1,5-a][1,3,5]三嗪衍生物用作蛋白激酶的抑制剂。