1-Methyl-4-phenyl-5-aminopyrazole

Base Information

• Chemical Name: 1-Methyl-4-phenyl-5-aminopyrazole
• CAS No.: 30823-52-0
• Molecular Formula: C₁₀H₁₁N₃
• Molecular Weight: 173.217
• European Community (EC) Number: 674-964-1
• DSSTox Substance ID: DTXSID80374978
• Wikidata: Q82163535
• ChEMBL ID: CHEMBL4170040
• Mol file: 30823-52-0.mol

Synonyms:1-Methyl-4-phenyl-5-aminopyrazole;30823-52-0;1-methyl-4-phenyl-1h-pyrazol-5-amine;2-methyl-4-phenylpyrazol-3-amine;CHEMBL4170040;1H-Pyrazol-5-amine, 1-methyl-4-phenyl-;SCHEMBL13737154;DTXSID80374978;BDBM50321336;MFCD05664143;AKOS010652579;FS-1667;CS-0257041;FT-0724963;1-methyl-4-phenyl-5-aminopyrazole, AldrichCPR;EN300-658958

Chemical Property of 1-Methyl-4-phenyl-5-aminopyrazole

Chemical Property:

• Vapor Pressure: 6.82E-05mmHg at 25°C
• Boiling Point: 343.9±30.0 °C(Predicted)
• PKA: 3.79±0.10(Predicted)
• Density: 1.17±0.1 g/cm3(Predicted)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

1-Methyl-4-phenyl-1H-pyrazol-5-amine 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C=N1)C2=CC=CC=C2)N

Technology Process of 1-Methyl-4-phenyl-5-aminopyrazole

There total 4 articles about 1-Methyl-4-phenyl-5-aminopyrazole 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: 47.4%

4-bromo-2-methyl-2H-pyrazol-3-ylamine (105675-85-2) + phenylboronic acid (98-80-6) → 2-methyl-4-phenyl-2H-pyrazol-3-ylamine (30823-52-0)

Guidance literature:

With potassium phosphate; palladium diacetate; XPhos; In water; toluene; at 95 ℃; for 12h; Inert atmosphere;

Reference yield:

2-Methyl-4-phenyl-2H-pyrazole-3-carbonyl chloride → 2-methyl-4-phenyl-2H-pyrazol-3-ylamine (30823-52-0)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In diethyl ether; for 3h; Yield given;

Reference yield:

2-methyl-4-phenyl-2H-pyrazole-3-carboxylic acid (142598-53-6) → 2-methyl-4-phenyl-2H-pyrazol-3-ylamine (30823-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / benzene / 2 h / Heating

2: hydroxyl amine hydrochloride, aq. NaOH / diethyl ether / 3 h

With sodium hydroxide; thionyl chloride; hydroxylamine hydrochloride; In diethyl ether; benzene;

upstream raw materials:

2-methyl-4-phenyl-2H-pyrazole-3-carboxylic acid

4-bromo-2-methyl-2H-pyrazol-3-ylamine

phenylboronic acid

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