1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-phe

Base Information

• Chemical Name: 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-phe
• CAS No.: 1199215-68-3
• Molecular Formula: C₁₆H₂₀N₂O₂
• Molecular Weight: 272.347
• Mol file: 1199215-68-3.mol

Synonyms:

Chemical Property of 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-phe

Chemical Property:

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3-tert-butyl-1-phenyl-1H-pyrazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-phe

There total 2 articles about 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-phe which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.3%

ethyl trimethylacetopyruvate (13395-36-3) + phenylhydrazine (100-63-0) → C16H20N2O2 (1199215-68-3)

Guidance literature:

ethyl trimethylacetopyruvate; phenylhydrazine; In methanol; at 0 - 20 ℃; for 1.5h;

In methanol; for 2h; Reflux;

DOI:10.1016/j.cclet.2016.02.009

Reference yield:

3,3-dimethyl-butan-2-one (75-97-8) → C16H20N2O2 (1199215-68-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium / ethanol / 0 - 20 °C

2.1: methanol / 1.5 h / 0 - 20 °C

2.2: 2 h / Reflux

With sodium; In methanol; ethanol;

DOI:10.1016/j.cclet.2016.02.009

Reference yield:

C16H20N2O2 (1199215-68-3) → 3-tert-butyl-1-phenyl-pyrazole-5-carbonyl chloride (956489-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / 2 h / 80 °C

2: thionyl chloride / 5 h / Reflux

With thionyl chloride; water; sodium hydroxide;

DOI:10.1016/j.cclet.2015.10.006

upstream raw materials:

3,3-dimethyl-butan-2-one

ethyl trimethylacetopyruvate

phenylhydrazine

Downstream raw materials:

3-tert-butyl-1-phenyl-pyrazole-5-carbonyl chloride