1-叔丁基-5-苯基-1H-吡唑 | 1204355-48-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-叔丁基-5-苯基-1H-吡唑
• 英文名称: 1-tert-butyl-5-phenylpyrazole
• 英文别名: 1-tert-butyl-5-phenyl-1H-pyrazole
• CAS: 1204355-48-5
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: OVLMIRLFPBIQHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为产物：
  描述：

  (E)-1-tert-butyl-2-((E)-3-phenylallylidene)hydrazone hydrochloride 在 Oxone 作用下， 以 三氟乙酸 为溶剂， 反应 2.0h， 以52%的产率得到1-叔丁基-5-苯基-1H-吡唑
  参考文献：
  名称：

  Oxone-mediated facile access to substituted pyrazoles

  摘要：

  An Oxone-mediated transition-metal-free oxidative C-N bond formation has been achieved for the regio-selective synthesis of substituted pyrazoles. The reactions accompany the chelation-controlled ortho-oxidation of N-substituted aromatic ring to provide phenol derivatives in some cases. This method displays a facile access to diverse range of substituted pyrazoles from readily accessible hydrazones. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.11.035

文献信息

• FUNGICIDAL AMIDES
  申请人：Hanagan Mary Ann

  公开号：US20100286147A1

  公开（公告）日：2010-11-11

  Disclosed are compounds of Formulae 1 and 1A (including all geometric and stereoisomers), N-oxides, and salts thereof, wherein R 1 , R 2 , A, G, M, W, Z 1 , X, J, J 1 and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  本发明涉及公式1和1A（包括所有几何和立体异构体）、N-氧化物和其盐的化合物，其中R1、R2、A、G、M、W、Z1、X、J、J1和n如本公开说明书中所定义。本发明还涉及含有公式1化合物的组合物以及用于控制由真菌病原体引起的植物病害的方法，包括施用本发明的化合物或组合物的有效量。
• Oxone-mediated facile access to substituted pyrazoles
  作者：Mitsuhiro Kashiwa、Yoshiyuki Kuwata、Motohiro Sonoda、Shinji Tanimori

  DOI：10.1016/j.tet.2015.11.035

  日期：2016.1

  An Oxone-mediated transition-metal-free oxidative C-N bond formation has been achieved for the regio-selective synthesis of substituted pyrazoles. The reactions accompany the chelation-controlled ortho-oxidation of N-substituted aromatic ring to provide phenol derivatives in some cases. This method displays a facile access to diverse range of substituted pyrazoles from readily accessible hydrazones. (C) 2015 Elsevier Ltd. All rights reserved.