2-(3',5'-dimethylpyrazol-1'-yl)-4-methylquinoline | 71508-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(3',5'-dimethylpyrazol-1'-yl)-4-methylquinoline
• 英文别名: 3,5-dimethyl-1-(4-methylquinolino)-pyrazole；2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methylquinoline；2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
• CAS: 71508-97-9
• 化学式: C₁₅H₁₅N₃
• mdl: MFCD01124470
• 分子量: 237.304
• InChiKey: KKPBXAJPJDFRRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3',5'-dimethylpyrazol-1'-yl)-4-methylquinoline 、 zinc(II) chloride 以 乙醇 、 二氯甲烷 为溶剂， 以60%的产率得到dichloro[2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline]zinc(II)
  参考文献：
  名称：

  Synthesis, structure, and luminescence properties of complex ZnLClb2 (L is 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline)

  摘要：

  合成了复杂的ZnLClb2（L是2-(3,5-二甲基吡唑-1-基)-4-甲基喹啉）。根据X射线衍射数据，在所获复合物单核分子中的Znp2+离子与二齿螯合配体L的两个N原子和两个Cl原子配位。配位多面体Cl2Nb2代表一个扭曲的四面体。在300 K的固态下，配体L在可见光谱范围内表现出弱光致发光。复合物ZnLClb2表现出明亮的蓝色光致发光。

  DOI：

  10.1007/s11172-009-0250-9
• 作为产物：
  描述：

  2-肼基-4-甲基喹啉 、 乙酰丙酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以80%的产率得到2-(3',5'-dimethylpyrazol-1'-yl)-4-methylquinoline
  参考文献：
  名称：

  Revision of the structure of the compound obtained by the reaction of 2-hydrazino-4-methylquinoline and acetylacetone

  摘要：

  DOI：

  10.1007/bf00810079

文献信息

• Singh, S. P.; Vaid, R. K.; Prakash, I., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 945 - 950
  作者：Singh, S. P.、Vaid, R. K.、Prakash, I.、Prakash, O.

  DOI：——

  日期：——
• Synthesis of Pd(II) complexes containing the protonated form or molecule of 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (L). The crystal structure of [Pd(HL)Cl3]
  作者：Z. A. Savel’eva、L. A. Glinskaya、S. A. Popov、R. F. Klevtsova、A. V. Tkachev、S. V. Larionov

  DOI：10.1134/s1070328409090073

  日期：2009.9

  The diamagnetic complexes [Pd(HL)Cl-3](I) and PdLCl2(II), where L is 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline, were obtained. According to X-ray diffraction data, the crystal structure of complex I consists of mononuclear acentric molecules. The coordination polygon PdNCl3 is a distorted square (trapezium) made up of the pyrazole N atom of the monodentate ligand (cation HL+) and three Cl atoms. Complex II seems to contain the square polygon PdN2Cl2.
• Synthesis, structure, and blue photoluminescence of the coordination chain polymer [Cd2(L)Cl4] n (L = 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline)
  作者：S. V. Larionov、Z. A. Savel’eva、G. V. Romanenko、E. M. Uskov、M. I. Rakhmanova、S. A. Popov、A. V. Tkachev

  DOI：10.1134/s1070328411100058

  日期：2011.10

  The complex of CdCl2 with 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (L), Cd-2(L)Cl-4(I), is synthesized. According to the X-ray diffraction data, the structure of coordination polymer I is formed by chains in which two crystallographically independent Cd atoms linked by the bridging Cl atoms have different coordination numbers (5 and 6) and different environments. Five Cl atoms form the coordination polyhedron of the Cd(2) atom: a square pyramid (Cd-Cl 2.554(3)-2.689(3) angstrom) completed to a bipyramid by the Cl atom at a substantially longer distance of 2.865(4) angstrom. Two Cl atoms and the N atom of quinoline fragment L are arranged in the equatorial plane of the coordination polyhedron of the Cd(1) atom, which is a distorted trigonal bipyramid. The axial vertices are occupied by the N atom of the pyrazole cycle of L and the Cl atom. Five-membered metallocycles CdCN3 are formed upon the coordination of bidentate chelating ligands L. The planes of L of two adjacent chains are parallel (the distances between them are similar to 3.5 angstrom), which suggests the pi-pi interaction between the planes. The luminescence excitation spectrum of compound I has a broad band with lambda(max) = 350 nm. The spectrum of bright blue photoluminescence of compound I (300 K, lambda(exc) = 340 nm) contains an intense band with lambda(max) = 420 nm.
• Fe(II) complex with chiral pyrazolylquinoline L and Fe(II), Co(II), and Cu(II) complexes with achiral pyrazolylquinoline L1: Synthesis and properties. The crystal structures of [ML1Cl2] (M = Fe, Co, and Cu)
  作者：Z. A. Savel’eva、L. A. Glinskaya、R. F. Klevtsova、S. A. Popov、A. V. Tkachev、N. V. Semikolenova、V. A. Zakharov、S. V. Larionov

  DOI：10.1134/s1070328408040076

  日期：2008.4

  The complexes FeLCl2 (I), [(FeLCl2)-Cl-1] (II), [(CoLCl2)-Cl-1] (III), and [(CuLCl2)-Cl-1] (IV) (where L and L-1 are chiral and achiral pyrazolylquinolines, respectively) were obtained. Complexes II-IV were structurally characterized by single-crystal X-ray diffraction analysis. Crystals of complexes II and III are triclinic (space group P) and crystals of complex IV are monoclinic (space group P2(1)/n). Structures II-IV are built from discrete mononuclear acentric molecules. In these complexes, the M2+ ion (M = Fe, Co, and Cu) coordinates two N atoms of the bidentate chelating ligand L-1 and two Cl atoms. The coordination cores MCl2N2 are distorted tetrahedra. For complexes I and II, mu(eff) = 5.05 and 5.07 mu(B), respectively, correspond to the high-spin configuration d(6). For complex III, mu(eff) = 4.51 mu(B) (high-spin configuration d(7)) and for complex IV, mu(eff) = 1.80 mu(B) (configuration d(9)).
• AHLUWALIA, VINOD, KUMAR;KAILA, NEELU;SINGH, SHASHI, BALA, MONATSH. CHEM., 1986, 117, N 6-7, 875-878
  作者：AHLUWALIA, VINOD, KUMAR、KAILA, NEELU、SINGH, SHASHI, BALA

  DOI：——

  日期：——