5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester | 7188-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester
• 英文别名: methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate；5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester；5-Methyl-1-phenyl-1H-pyrazol-3-carbonsaeure-methylester；1-Phenyl-5-methyl-pyrazol-carbonsaeure-3-methylester；5-Methyl-1-phenyl-pyrazolcarbonsaeure-3-methylester；Methyl-5-methyl-1-phenyl-pyrazol-3-carboxylat；methyl 5-methyl-1-phenylpyrazole-3-carboxylate
• CAS: 7188-97-8
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: UXTASIYEIXYNJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-甲基-1-苯基吡唑-3-羧酸 在 盐酸 、 甲醇 作用下， 生成 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Cusmano, Gazzetta Chimica Italiana, 1940, vol. 70, p. 240,244

  摘要：

  DOI：

文献信息

• New one-pot, efficient, and regioselective method for the synthesis of 3-Trifluoromethyl-1H-1-phenylpyrazoles and alkyl 3-carboxylate analogs
  作者：Helio G. Bonacorso、Michele S. Correa、Liliane M.F. Porte、Everton P. Pittaluga、Nilo Zanatta、Marcos A.P. Martins

  DOI：10.1016/j.tetlet.2012.07.119

  日期：2012.10

  An efficient and regioselective procedure for the synthesis of a series of alkyl(aryl/heteroaryl) substituted 3-trifluoromethyl-1H-1-phenylpyrazoles and alkyl 3-carboxylate analogs, from the cyclocondensation reactions of 4-alkoxy-1,1,1-trihaloalk-3-en-2-ones [CX3C(O)CR2=CR1(OMe/OEt), where R1 = H, Me, Ph, 2-Furyl; R2 = H; R1-R2 = -C4H8- and X = F, Cl] and 1-phenylsemicarbazide in an acidified alcoholic

  从4-烷氧基-1,1,1的环缩合反应合成一系列烷基（芳基/杂芳基）取代的3-三氟甲基-1 H -1-苯基吡唑和3-羧酸烷基酯类似物的有效和区域选择性程序-trihaloalk-3-en-2-ones [CX 3 C（O）CR 2 = CR 1（OMe / OEt），其中R 1 = H，Me，Ph，2-呋喃基；R 2＝ H；在酸性醇介质（R 3 OH / H 2 SO 4）中，R 1 -R 2 = -C 4 H 8-和X = F，Cl]和1-苯基氨基脲，其中R 3 = Me，Et，Pr i 已成功应用，并在此处进行了详细说明。
• Claisen; Roosen, Justus Liebigs Annalen der Chemie, 1894, vol. 278, p. 295
  作者：Claisen、Roosen

  DOI：——

  日期：——
• When Aryldiazonium Salts Meet Vinyl Diazoacetates: A Cobalt-Catalyzed Regiospecific Synthesis of <i>N</i>-Arylpyrazoles
  作者：Haiheng Guo、Daming Zhang、Chenghao Zhu、Jian Li、Guangyang Xu、Jiangtao Sun

  DOI：10.1021/ol5012339

  日期：2014.6.6

  A cobalt-catalyzed C-N bond formation between aryl diazonium salts and vinyl diazoacetates has been developed under relatively mild conditions. The N-arylpyrazoles have been prepared in moderate to high yields in a regiospecific way.