3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine
• CAS No.: 90012-40-1
• Molecular Formula: C16H15N3
• Molecular Weight: 249.315
• Hs Code.: 2933199090
• European Community (EC) Number: 623-100-1
• DSSTox Substance ID: DTXSID90357555
• Nikkaji Number: J2.664.168C
• Wikidata: Q27196747
• ChEMBL ID: CHEMBL1424170
• Mol file: 90012-40-1.mol

Synonyms:90012-40-1;3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine;2-Phenyl-5-p-tolyl-2H-pyrazol-3-ylamine;1-Phenyl-3-(p-tolyl)-1H-pyrazol-5-amine;5-(4-methylphenyl)-2-phenylpyrazol-3-amine;1-PHENYL-3-P-TOLYL-1H-PYRAZOL-5-AMINE;MLS000536200;5-(4-methylphenyl)-2-phenyl-3-pyrazolamine;SMR000155512;5-(4-methylphenyl)-2-phenyl-pyrazol-3-amine;5-Amino-3-(4-methylphenyl)-1-phenylpyrazole;Enamine_004989;cid_854142;SCHEMBL1143708;CHEMBL1424170;BDBM43690;DTXSID90357555;CHEBI:114904;HMS1408C17;HMS2364N09;MFCD03427106;STK165014;AKOS000678895;AB15050;IDI1_007576;[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amine;CS-0219687;EN300-04685;A843404;SR-01000039458;1H-Pyrazol-5-amine,3-(4-methylphenyl)-1-phenyl-;5-Amino-3-(4-methylphenyl)-1-phenylpyrazole, 97%;SR-01000039458-1;Q27196747;Z56886290

Chemical Property of 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 1.16E-08mmHg at 25°C
• Melting Point: 173-176 °C(lit.)
• Refractive Index: 1.635
• Boiling Point: 460.4 °C at 760 mmHg
• Flash Point: 232.3 °C
• PSA: 43.84000
• Density: 1.15 g/cm³
• LogP: 4.01110
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.126597491
• Heavy Atom Count: 19
• Complexity: 280

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Amino-3-(4-methylphenyl)-1-phenylpyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
• Uses: 5-Amino-3-(4-methylphenyl)-1-phenylpyrazole may be used in the preparation of N′-[4-formyl-3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]-N,N-dimethylimidoformamide, an intermediate for preparing 5-amino-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Technology Process of 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine

There total 4 articles about 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine 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: 73.0%

phenylhydrazine (100-63-0) + p-tolueneacetonitrile (7391-28-8) → 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine (90012-40-1)

Guidance literature:

With Montmorillonite K₁₀; In isopropyl alcohol; Heating;

DOI:10.1080/00304940409356638

Reference yield:

3-phenylhydrazono-3-p-tolyl-propionitrile → 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine (90012-40-1)

Guidance literature:

With acetic acid;

Reference yield:

3-amino-3-p-tolylacrylonitrile (17196-75-7,60375-52-2,25354-55-6) → 3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-amine (90012-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; glacial acetic acid

2: beim Erhitzen ueber den Schmelzpunkt

With ethanol; acetic acid;

upstream raw materials:

phenylhydrazine

p-tolueneacetonitrile

3-amino-3-p-tolylacrylonitrile

Downstream raw materials:

N'-(1-phenyl-3-(4-methylphenyl)-1H-pyrazol-5-yl)-N-methylmethanimidamide

3-(4-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

Refernces