1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea

Base Information

• Chemical Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
• CAS No.: 2620-71-5
• Molecular Formula: C₁₂H₁₄N₄O₂
• Molecular Weight: 246.269
• DSSTox Substance ID: DTXSID401031048
• ChEMBL ID: CHEMBL1550801

Synonyms:1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea;BAS 00632874;Oprea1_041396;Oprea1_295769;MLS000687866;CHEMBL1550801;DTXSID401031048;HMS2586B11;STK865674;AKOS000592376;2620-71-5;SMR000284827;1-Phenyl-2,3-dimethyl-4-ureido-pyrazolinon;SR-01000317345;SR-01000317345-1;Z56778446;N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea

Chemical Property of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.11167570
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N

Technology Process of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea

There total 3 articles about 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-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:

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) + urea (57-13-6) → (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea (2620-71-5)

Guidance literature:

at 132 ℃;

Reference yield:

potassium cyanate (590-28-3) + 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) → (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea (2620-71-5)

Guidance literature:

With water; acetic acid;

Reference yield:

→ (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea (2620-71-5)

Guidance literature:

4-Aminoantipyrin, Kaliumcyanat;

upstream raw materials:

potassium cyanate

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

urea

Downstream raw materials:

C₄₀H₄₀N₁₀O₈S

N,N-dimethyl-alanine (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-amide

N,N-dimethyl-glycine (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-amide

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