4-bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 4-bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine
• CAS No.: 69464-98-8
• Molecular Formula: C10H10BrN3
• Molecular Weight: 252.113
• Hs Code.: 2933199090
• European Community (EC) Number: 677-006-0
• DSSTox Substance ID: DTXSID30402093
• Wikidata: Q82205458
• Mol file: 69464-98-8.mol

Synonyms:69464-98-8;4-bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine;4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-ylamine;5-Amino-4-bromo-3-methyl-1-phenylpyrazole;4-bromo-5-methyl-2-phenylpyrazol-3-amine;SCHEMBL1143440;DTXSID30402093;KNUGDEKPCNCMIO-UHFFFAOYSA-N;BBL030208;MFCD04039926;STL243779;AKOS000266194;AS-66977;BP-11045;4-Bromo-5-methyl-2-phenyl-2H-pyrazol-3-;CS-0187098;EN300-255728;T71242;5-Amino-4-bromo-3-methyl-1-phenyl-1H-pyrazole;4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-ylamine, 96%

Chemical Property of 4-bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Melting Point: 103-107 °C(lit.)
• Refractive Index: 1.668
• Boiling Point: 369.1°C at 760 mmHg
• Flash Point: 177°C
• PSA: 43.84000
• Density: 1.57g/cm³
• LogP: 3.10660
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.00581
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• 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=NN(C(=C1Br)N)C2=CC=CC=C2

Technology Process of 4-bromo-3-methyl-1-phenyl-1H-pyrazol-5-amine

There total 4 articles about 4-bromo-3-methyl-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: 90.0%

1-bromo-1-cyanopropan-2-on (60930-93-0) + phenylhydrazine (100-63-0) → 4-bromo-5-amino-3-methyl-1-phenyl-1H-pyrazole (69464-98-8)

Guidance literature:

With toluene-4-sulfonic acid; In water; at 110 ℃; for 3h;

DOI:10.1002/jhet.4439

Reference yield: 89.0%

1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6) → 4-bromo-5-amino-3-methyl-1-phenyl-1H-pyrazole (69464-98-8)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2021.153252

Reference yield:

1-Phenyl-3-methyl-pyrazolon-(5)-imid → 4-bromo-5-amino-3-methyl-1-phenyl-1H-pyrazole (69464-98-8)

Guidance literature:

With bromine; acetic acid;

upstream raw materials:

1-Phenyl-3-methyl-5-aminopyrazole

1-bromo-1-cyanopropan-2-on

phenylhydrazine

Downstream raw materials:

5-amino-4'-bromo-3,3'-dimethyl-4,5'-azobis-1,1'-diphenylpyrazole

(4-Bromo-5-methyl-2-phenyl-2H-pyrazol-3-yl)-[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amine

3,4-dimethyl-1,6-diphenyldipyrazolo<4,5-b:4',5'-c>-1,6-dihydropyridazine