5-methyl-3-(5-α-picolyl)pyrazole | 196711-71-4

• 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: 5-methyl-3-(5-α-picolyl)pyrazole
• 英文别名: 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)pyridine
• CAS: 196711-71-4
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: DOAANALKUBAVDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  钾硼氢 、 5-methyl-3-(5-α-picolyl)pyrazole 以 neat (no solvent) 为溶剂， 以37%的产率得到potassium hydrotris(5-methyl-3-(5-α-picolyl)pyrazolyl)borate dihydrate
  参考文献：
  名称：

  Two New Pyridyl-Substituted Tris(pyrazolyl)borate Ligands and Their Potassium Salts

  摘要：

  The hydrotris (5-methyl-3-py*-pyrazolyl)borate ligands Tp(3Py,Me) (py* = 3-pyridyl) and Tp(Pic,Me) (py* = 5-alpha-picolyl) were synthesized from the corresponding pyrazoles and KBH4. They were crystallized as their hydrated potassium salts. In the solid state KTp(3Py,Me). H2O is a coordination polymer in which two of the three pyridine nitrogens of each Tp(3py,Me) ligand are used to coordinate neighboring potassium ions. KTp(Pic,Me). 2H(2)O consists of dimers held together by pairs of K-N(pyridine) interactions. KTp(3Py,Me). H2O crystallizes in the triclinic space group with a = 8.893(2) Angstrom, b = 11.733(2) Angstrom, c = 13.272(2) Angstrom, alpha = 75.48(1)degrees, beta = 82.93(2)degrees, gamma = 88.43(2)degrees, and Z = 2. KTp(Pic,Me). 2H(2)O crystallizes in the triclinic space group with a = 9.481(2) Angstrom, b = 11.613(1) Angstrom, c = 15.516(1) Angstrom, alpha = 76.68(1)degrees, beta = 75.13(1)degrees, gamma = 89.60(1)degrees, and Z = 2.

  DOI：

  10.1021/ic970627r

文献信息

• SUBSTITUTED PIPERAZINES
  申请人：ChemoCentryx, Inc.

  公开号：EP1691810A1

  公开（公告）日：2006-08-23
• EP1691810A4
  申请人：——

  公开号：EP1691810A4

  公开（公告）日：2009-07-01
• Substituted piperazines
  申请人：Pennell M.K. Andrew

  公开号：US20050256130A1

  公开（公告）日：2005-11-17

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and have in vivo anti-inflammatory activity. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.
• US7589199B2
  申请人：——

  公开号：US7589199B2

  公开（公告）日：2009-09-15
• US8324216B2
  申请人：——

  公开号：US8324216B2

  公开（公告）日：2012-12-04