3-tert-butyl-5-(2-pyrazine)pyrazole | 874759-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-tert-butyl-5-(2-pyrazine)pyrazole
• 英文别名: 3-tret-butyl-5-(2-pyrazyl)pyrazol；bzpzH；2-(5-tert-butyl-1H-pyrazol-3-yl)pyrazine
• CAS: 874759-56-5
• 化学式: C₁₁H₁₄N₄
• 分子量: 202.259
• InChiKey: AYXPGKLFZMXPMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-5-(2-pyrazine)pyrazole 、 (1-(2,4-difluorophenyl)-1H-pyrazole)₂Ir(μ-Cl)₂Ir(1-(2,4-difluorophenyl)-1H-pyrazole)₂ 在 Na₂CO₃ 作用下， 以 乙二醇甲醚 为溶剂， 生成 [(1-(2,4-difluorophenyl)pyrazole(1-))2Ir(3-tret-butyl-5-(2-pyrazyl)pyrazolate)]
  参考文献：
  名称：

  Color tuning associated with heteroleptic cyclometalated Ir(iii) complexes: influence of the ancillary ligand

  摘要：

  我们报告了一系列新的杂齿三价铱金属配合物的制备，这些配合物由两个环金属化的1-(2,4-二氟苯基)吡唑配体（dfpz）H和第三个辅助双齿配体（L^X）螯合而成。这种复杂设计的核心概念在于，环金属化的dfpz配体在这些铱配合物中总是能够形成更大的ππ*能隙。因此，最低的一电子激发会占据辅助L^X配体的π*轨道，其功能化则被用于微调磷光发射波长。在设计的L^X配体中，可以将三种类别（系列1-3）进行分类，通过以下方式观察到显著的红移现象：（i）在苯醇配合物中，将2-苯并恶唑-2-基取代基（1a）替换为2-苯并噻唑-2-基（1b）；（ii）在吡唑配合物中，将吡啶基（2a）转化为吡唑基（2b），甚至转变为异喹啉基（2c）；（iii）将苯并咪唑配体的π-共轭从3a扩展到3b。对配合物[(dfpz)Ir(bzpz)] (2b)进行了单晶X射线衍射研究，以确认其一般分子结构。配合物2b还被用作示例，采用直接热蒸发技术制造多层发光绿色磷光OLED。

  DOI：

  10.1039/b700998d

文献信息

• NEPRILYSIN INHIBITORS
  申请人：Fleury Melissa

  公开号：US20150210690A1

  公开（公告）日：2015-07-30

  In one aspect, the invention relates to compounds having the formula I: where R 1 -R 6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising these compounds; methods of using these compounds; and processes and intermediates for preparing these compounds.

  在一个方面，该发明涉及具有以下式I的化合物： 其中R1-R6如规范中定义，或其药学上可接受的盐。这些化合物具有神经肽酶抑制活性。在另一个方面，该发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• Pt complexes as phosphorescent emitters in the fabrication of organic light emitting diodes
  申请人：National Tsing Hua University

  公开号：US07002013B1

  公开（公告）日：2006-02-21

  A series of Pt(II) complexes having the following formula are disclosed: X1 and X2 independently are C or N, X1 can also locate at another position of the hexagonal ring, when X1 is N; R1 is H, C1–C8 alkyl, or C1–C4 perfluoroalkyl, R2 is H, R1 and R2 together are C4–C8 alkylene, or R1 and R2 together are bridged carbocyclic C4–C12 alkylene, when X2 is C; R1 is H, C1–C8 alkyl, or C1–C4 perfluoroalkyl, and R2 is omitted, when X2 is N; R7 is H or methyl, and R8 is omitted, when X1 is N; R7 is H or methyl, R8 is H or methyl, or R7 and R8 together are when X1 is C.

  揭示了具有以下公式的一系列Pt(II)络合物：X1和X2独立地是C或N，当X1为N时，X1也可以位于六角环的另一个位置；R1是H，C1-C8烷基或C1-C4全氟烷基，R2是H，R1和R2一起是C4-C8烷基，或者R1和R2一起是桥接的碳环C4-C12烷基，当X2为C时；R1是H，C1-C8烷基或C1-C4全氟烷基，而R2被省略，当X2为N时；R7是H或甲基，R8被省略，当X1为N时；R7是H或甲基，R8是H或甲基，或者R7和R8一起是当X1为C时。
• Neprilysin inhibitors
  申请人：THERAVANCE BIOPHARMA R&D IP, LLC

  公开号：US10005740B2

  公开（公告）日：2018-06-26

  In one aspect, the invention relates to compounds having the formula I: where R1-R6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising these compounds; methods of using these compounds; and processes and intermediates for preparing these compounds.

  一方面，本发明涉及具有式 I 的化合物： 其中 R1-R6 如说明书中所定义，或其药学上可接受的盐。这些化合物具有肾酶抑制活性。在另一方面，本发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的工艺和中间体。
• Platinum(II) Complexes with Pyridyl Azolate-Based Chelates:  Synthesis, Structural Characterization, and Tuning of Photo- and Electrophosphorescence
  作者：Sheng-Yuan Chang、Jakka Kavitha、Shih-Wen Li、Chan-Shou Hsu、Yun Chi、Yu-Shan Yeh、Pi-Tai Chou、Gene-Hsiang Lee、Arthur J. Carty、Yu-Tai Tao、Chin-Hsiung Chien

  DOI：10.1021/ic051393b

  日期：2006.1.1

  A new series of luminescent platinum(II) azolate complexes with a formula of [Pt(N Lambda N)(2)], in which N Lambda N = mppz (1), bppz (2a), bzpz (2b), bmpz (2c), bqpz (2d), fppz (3a), hppz (3b), bptz (4), hptz (5), were synthesized, and their photophyscial properties were examined. Single-crystal X-ray diffraction studies of 2c: and 3b revealed a planar molecular geometry, in which the N Lambda N chelates adopt a trans configuration and show notable interligand C-(HN)-N-... hydrogen bonding within the complex. Interesting intermolecular interactions were observed in the solid state. Complex 2c formed a slipped-stack structure with a (PtPt)-Pt-... separation distance of 6.432 angstrom, while complex 3b showed a columnar stacking with the molecules oriented in an alternating order in relation to the chain axis, giving a much reduced (PtPt)-Pt-... distance of 3.442 angstrom. The lowest absorption band for all complexes revealed strong state mixings between the singlet and triplet (MLCT and intraligand pi pi*) manifolds. Complexes 1 and 2 showed mixed (MLCT)-M-3 and (3)pi pi phosphorescence in fluid solution. While radiationless deactivation was apparently dominant for complxes 3-5 in solution, resulting in rather weak emission, strong phosphorescence was observed in the room-temperature solid state with the peak wavelength being significantly red shifted compared to that in solution. The emission nature has been tentatively assigned to be (MMLCT)-M-3 in character. OLED devices with a multilayer configuration of ITO/NPB/CBP:2a/BCP/Alq(3)/LiF/Al were successfully fabricated using a CBP layer doped with various amount of 2a, ranging from 6 to 100%, as the emitting layer. A substantial red shift with increasing doping concentrations was observed in electroluminescence. With a neat film of 2a, the device showed a green emission with lambda(max) at 556 nm and an external QE of similar to 1.6% at a driving current of 20 mA. Similarly, for the device using a neat film of 3a, an electroluminescence centered at 616 nm with a slightly reduced external QE of similar to 2.1% was recorded. Aggregation of platinum(II) complexes in the solid state was proposed to account for the large red-shift in electroluminescence.
• US7002013B1
  申请人：——

  公开号：US7002013B1

  公开（公告）日：2006-02-21