5-Isopropyl-isophthalonitrile | 127921-63-5

• 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: 5-Isopropyl-isophthalonitrile
• 英文别名: 5-propan-2-ylbenzene-1,3-dicarbonitrile
• CAS: 127921-63-5
• 化学式: C₁₁H₁₀N₂
• 分子量: 170.214
• InChiKey: SHKIKKGTMQPDDL-UHFFFAOYSA-N

物化性质

• 熔点：
  78.8-80.0 °C
• 沸点：
  246.9±33.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(3-hydroxy-2-methylbutan-2-yl)benzene-1,3-dicarbonitrile 生成 5-Isopropyl-isophthalonitrile
  参考文献：
  名称：

  Ohashi, Mamoru; Aoyagi, Nobuyuki; Miyama, Takashi, Journal of the Chemical Society. Perkin transactions I, 1990, # 1, p. 189 - 191

  摘要：

  DOI：

文献信息

• PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS
  申请人：Huang Taisheng

  公开号：US20110224190A1

  公开（公告）日：2011-09-15

  The present invention provides piperidin-4-yl azetidine derivatives, as well as their compositions and methods of use, that modulate the activity of Janus kinase 1 (JAK1) and are useful in the treatment of diseases related to the activity of JAK1 including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

  本发明提供了哌啶-4-基氮杂环丙烷衍生物，以及它们的组合物和使用方法，这些衍生物调节Janus激酶1（JAK1）的活性，并且在治疗与JAK1活性相关的疾病方面具有用处，例如炎症性疾病、自身免疫性疾病、癌症和其他疾病。
• HIV reverse transcriptase inhibitors
  申请人：Saggar A. Sandeep

  公开号：US20070021442A1

  公开（公告）日：2007-01-25

  Compounds having the structure: are HIV reverse transcriptase inhibitors, wherein A, X, Y, Z, R 1 and R 2 are defined herein. The compounds and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  具有以下结构的化合物：是HIV逆转录酶抑制剂，其中A、X、Y、Z、R1和R2在此处定义。这些化合物及其药用盐在抑制HIV逆转录酶、预防和治疗HIV感染以及预防、延缓AIDS发病和治疗方面具有用途。这些化合物及其盐可作为药物组成部分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT
  申请人：Tonogaki Keisuke

  公开号：US20130184240A1

  公开（公告）日：2013-07-18

  Disclosed is a compound which is useful as an AMPK activator. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein a group represented by the formula: is a group represented by the formula: R 1 is each independently halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like; m is an integer of 0 to 3; R 2 is hydrogen, or substituted or unsubstituted alkyl; X is —O—; and Y is substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl.

  揭示了一种作为AMPK激活剂有用的化合物。一种由以下公式表示的化合物：其药学上可接受的盐，或其溶剂化合物，其中由以下公式表示的基团：是由以下公式表示的基团：R1是各自独立的卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯烃基或类似物；m是0到3的整数；R2是氢，或取代或未取代的烷基；X是—O—；Y是取代或未取代的芳基，或取代或未取代的杂环芳基。
• COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES
  申请人：Kyulux, Inc.

  公开号：US20190233412A1

  公开（公告）日：2019-08-01

  The present disclosure relates to compounds capable of emitting delayed fluorescence and uses of these compounds in organic light-emitting diodes.

  本公开涉及能够发射延迟荧光的化合物以及这些化合物在有机发光二极管中的应用。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：BEIJING SUMMER SPROUT TECHNOLOGY CO., LTD.

  公开号：US20220020935A1

  公开（公告）日：2022-01-20

  Disclosed are a novel organic electroluminescent material and a device thereof. Such a novel organic electroluminescent material has a structure of Formula 1, and when applied to the organic electroluminescent device, can improve the balance of electrons and holes in the organic electroluminescent device and thus bring excellent device effects such as the improvement of external quantum efficiency, current efficiency, and service life. The novel organic electroluminescent material can be used to prepare organic semiconductor devices and is suitable for different types of organic semiconductor devices, including but not limited to fluorescent OLEDs, phosphorescent OLEDs, white OLEDs, laminated OLEDs, OTFTs, OPVs, etc. Further disclosed are an electroluminescent device comprising the organic electroluminescent material and a compound formulation comprising the organic electroluminescent material.

  本发明涉及一种新型有机电致发光材料及其器件。所述新型有机电致发光材料具有一种化学结构式1，当应用于有机电致发光器件时，可以改善有机电致发光器件中电子和空穴的平衡，从而带来卓越的器件效果，如提高外部量子效率、电流效率和使用寿命。该新型有机电致发光材料可用于制备有机半导体器件，并适用于不同类型的有机半导体器件，包括但不限于荧光OLED、磷光OLED、白色OLED、层压OLED、OTFT、OPV等。进一步公开了包括所述有机电致发光材料和化合物配方的电致发光器件。