1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea

Base Information

• Chemical Name: 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
• CAS No.: 1119833-45-2
• Molecular Formula: C₁₇H₁₉N₅O₂
• Molecular Weight: 325.37
• Mol file: 1119833-45-2.mol

Synonyms:1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea

Chemical Property of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea

There total 5 articles about 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea 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: 32.0%

1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine hydrochloride (1119832-21-1) + benzyl isothiocyanate (3173-56-6) → 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea (1119833-45-2)

Guidance literature:

With triethylamine; In acetonitrile; at 135 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1021/acs.jmedchem.0c00388

Reference yield:

1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazole-4-carbonyl azide (1119833-51-0) → 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea (1119833-45-2)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene / Inert atmosphere; Reflux; Molecular sieve

2: toluene / 6 h / Molecular sieve; Reflux

3: hydrogenchloride / methanol; diethyl ether / 2 h / Reflux

4: triethylamine / acetonitrile / 0.08 h / 135 °C / Microwave irradiation

With hydrogenchloride; triethylamine; In methanol; diethyl ether; toluene; acetonitrile; 1: |Curtius Rearrangement;

DOI:10.1021/acs.jmedchem.0c00388

Reference yield:

4-((4-isocyanato-1H-pyrazol-1-yl)methyl)-3,5-dimethylisoxazole (1119833-71-4) → 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea (1119833-45-2)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 6 h / Molecular sieve; Reflux

2: hydrogenchloride / methanol; diethyl ether / 2 h / Reflux

3: triethylamine / acetonitrile / 0.08 h / 135 °C / Microwave irradiation

With hydrogenchloride; triethylamine; In methanol; diethyl ether; toluene; acetonitrile;

DOI:10.1021/acs.jmedchem.0c00388

upstream raw materials:

1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine hydrochloride

benzyl isothiocyanate

4-((4-isocyanato-1H-pyrazol-1-yl)methyl)-3,5-dimethylisoxazole

1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazole-4-carbohydrazide

Downstream raw materials:

1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1,3,5-triazinane-2,4,6-trione

1-benzyl-5-(2,4-dimethoxybenzyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1,3,5-triazinan-2-one