1-[2-(isopropylamino)ethyl]-3,5-dimethylpyrazole | 340967-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[2-(isopropylamino)ethyl]-3,5-dimethylpyrazole
• 英文别名: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N-isopropylamine；N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]propan-2-amine
• CAS: 340967-00-2
• 化学式: C₁₀H₁₉N₃
• mdl: MFCD14655735
• 分子量: 181.281
• InChiKey: VWWYXMRDMDIISD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 1-[2-(isopropylamino)ethyl]-3,5-dimethylpyrazole 以 二氯甲烷 为溶剂， 以91%的产率得到[PdCl2(1-[2-(isopropylamino)ethyl]-3,5-dimethylpyrazole
  参考文献：
  名称：

  Synthesis of new palladium(II) compounds with several bidentate nitrogen-donor ligands: Structural analyses by 1H and 13C{1H} NMR spectroscopy and crystal structures

  摘要：

  The reaction of [PdCl2(CH3CN)(2)] with N-alkylaminopyrazole (NN') ligands, 1-[2-(ethylamino)ethyl]-3,5-dimethylpyrazole (deae), 1-[2-('propylamino)ethyl]-3,5-dimethylpyrazole (deai), and 1-[2-('butylamino)ethyl]-3,5-dimethylpyrazole (deat), affords a series of square planar Pd(II) complexes [PdCl2(NN')] (NN' = deae (1), deai (2) and deat (3)). The solid-state structures of complexes 1 and 3 were determined by single crystal X-ray diffraction studies. The NN' ligands are coordinated through the N-pz and N-amine atoms to the metal atom, which completes its coordination with two chlorine atoms in a cis disposition. These palladium(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-1 and C-13(H-1) NMR spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.069
• 作为产物：
  描述：

  异丙胺 、 2-(3,5-dimethylpyrazol-1-yl)ethyl tosylate 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以80%的产率得到1-[2-(isopropylamino)ethyl]-3,5-dimethylpyrazole
  参考文献：
  名称：

  Organometallic rhodium (I) complexes with 1-alkylaminopyrazole ligands

  摘要：

  New bidentate NN ' and tridentate NN 'N 1-alkylaminopyrazoles were synthesized and characterized by elemental analyses and spectroscopic methods. The reaction of [RhCl(cod)(2)] (cod = cycloocta-1,5-diene) with one equivalent of L 1-alkylaminopyrazoles afforded Rh2Cl2(L)(cod)(2) complexes (L = NN ' and NN 'N). These rhodium (I) compounds were studied by IR, H-1- and C-13-NMR and liquid mass (with electrospray and APCI interfaces) spectrometries. The H-1-NMR spectra and molar conductances of these complexes suggested the presence of 1:1 electrolyte species, [Rh(L)cod](+) [RhCl2(cod)](-), in solution. A combined electrospray and APCI liquid mass spectroscopy study confirmed the presence of both [Rh(L)cod](+) and [RhCl2(cod)](-) species in solution bur the existence of a neutral molecular form of complexes in solution could not be demonstrated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00662-8

文献信息

• Tubulysin analogs and methods for their preparation
  申请人：PFIZER INC.

  公开号：US10723727B2

  公开（公告）日：2020-07-28

  The present invention is directed to novel cytotoxic tubulysin analogs and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.

  本发明涉及新型细胞毒性管胞素类似物和衍生物、其抗体药物共轭物以及用其治疗包括癌症在内的病症的方法。
• New cationic palladium(II) compounds with several bidentate nitrogen-donor ligands: Synthesis, spectroscopic analyses and X-ray crystal structure
  作者：Anna Pañella、Josefina Pons、Jordi Garcia-Anton、Xavier Solans、Mercè Font-Bardia、Josep Ros

  DOI：10.1016/j.ica.2005.11.046

  日期：2006.4

  A series of PdN4 core complexes has been synthesised. Reaction of [PdCl2(CH3CN)(2)] with N-alkylaminopyrazole (NN') ligands, 1-[2-(ethylamino)ethyl]-3,5-dimethylpyrazole (deae), 1-[2-((i)propylamino)ethyl]-3,5-dimethylpyrazole (deai), and 1-[2-((t)butylamino) ethyl]-3,5-dimethylpyrazole (deat) in the presence of AgBF4 led to [Pd(NN')(2)](BF4)(2). These palladium(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-1 and C-13H-1} NMR spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. The X-ray analyses of one representative complex, [Pd(deat)(2)](BF4)(2), is reported. The crystal structure consists of discrete centrosymmetric cations involving a coordinated Pd(Npz)(2)(N-amino)(2) core with planar geometry and BF4- anions. (c) 2006 Elsevier B.V. All rights reserved.
• Organometallic rhodium (I) complexes with 1-alkylaminopyrazole ligands
  作者：Glòria Esquius、Josefina Pons、Ramón Yáñez、Josep Ros

  DOI：10.1016/s0022-328x(00)00662-8

  日期：2001.1

  New bidentate NN ' and tridentate NN 'N 1-alkylaminopyrazoles were synthesized and characterized by elemental analyses and spectroscopic methods. The reaction of [RhCl(cod)(2)] (cod = cycloocta-1,5-diene) with one equivalent of L 1-alkylaminopyrazoles afforded Rh2Cl2(L)(cod)(2) complexes (L = NN ' and NN 'N). These rhodium (I) compounds were studied by IR, H-1- and C-13-NMR and liquid mass (with electrospray and APCI interfaces) spectrometries. The H-1-NMR spectra and molar conductances of these complexes suggested the presence of 1:1 electrolyte species, [Rh(L)cod](+) [RhCl2(cod)](-), in solution. A combined electrospray and APCI liquid mass spectroscopy study confirmed the presence of both [Rh(L)cod](+) and [RhCl2(cod)](-) species in solution bur the existence of a neutral molecular form of complexes in solution could not be demonstrated. (C) 2001 Elsevier Science B.V. All rights reserved.
• Synthesis of new palladium(II) compounds with several bidentate nitrogen-donor ligands: Structural analyses by 1H and 13C{1H} NMR spectroscopy and crystal structures
  作者：Anna Pañella、Josefina Pons、Jordi García-Antón、Xavier Solans、Mercè Font-Bardia、Josep Ros

  DOI：10.1016/j.ica.2005.09.069

  日期：2006.5

  The reaction of [PdCl2(CH3CN)(2)] with N-alkylaminopyrazole (NN') ligands, 1-[2-(ethylamino)ethyl]-3,5-dimethylpyrazole (deae), 1-[2-('propylamino)ethyl]-3,5-dimethylpyrazole (deai), and 1-[2-('butylamino)ethyl]-3,5-dimethylpyrazole (deat), affords a series of square planar Pd(II) complexes [PdCl2(NN')] (NN' = deae (1), deai (2) and deat (3)). The solid-state structures of complexes 1 and 3 were determined by single crystal X-ray diffraction studies. The NN' ligands are coordinated through the N-pz and N-amine atoms to the metal atom, which completes its coordination with two chlorine atoms in a cis disposition. These palladium(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-1 and C-13(H-1) NMR spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. (c) 2006 Elsevier B.V. All rights reserved.