3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine
• CAS No.: 126417-84-3
• Molecular Formula: C10H10BrN3
• Molecular Weight: 252.11
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00416728
• Wikidata: Q82226223
• Mol file: 126417-84-3.mol

Synonyms:126417-84-3;3-(4-BROMOPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE;5-(4-bromophenyl)-2-methylpyrazol-3-amine;5-Amino-3-(4-bromophenyl)-1-methylpyrazole;5-(4-BROMO-PHENYL)-2-METHYL-2H-PYRAZOL-3-YLAMINE;CBMicro_005361;1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-;SCHEMBL10112206;DTXSID00416728;BFA41784;SMSF0004501;MFCD00558940;AB06454;CB07429;CS-W000677;AS-48603;BIM-0005130.P001;FT-0767727;5-(4-bromophenyl)-2-methyl-pyrazol-3-amine;F51896;EN300-1148204;5-(4-bromophenyl)-2-methyl-2h-pyrazol-3-ylamine;A805554

Chemical Property of 3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine

Chemical Property:

• Boiling Point: 414.9±35.0 °C(Predicted)
• PKA: 3.24±0.10(Predicted)
• PSA: 43.84000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: 3.01300
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.00581
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-3-(4-bromophenyl)-1-methylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=N1)C2=CC=C(C=C2)Br)N
• Uses: 5-Amino-3-(4-bromophenyl)-1-methylpyrazole is a useful building block in the synthesis of various pharmaceuticals.

Technology Process of 3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine

There total 3 articles about 3-(4-Bromophenyl)-1-methyl-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: 45.0%

(E)-3-(4-Bromo-phenyl)-3-chloro-acrylonitrile (78583-87-6) + methylhydrazine (60-34-4) → 5-(4-bromophenyl)-2-methyl-pyrazol-3-amine (126417-84-3) + 5-(4-Bromo-phenyl)-1-methyl-1H-pyrazol-3-ylamine (126417-83-2)

Guidance literature:

In ethanol; for 5h; Heating;

Reference yield:

methylhydrazine (60-34-4) + 3-(4-bromophenyl)-3-oxopropanenitrile (4592-94-3) → 5-(4-bromophenyl)-2-methyl-pyrazol-3-amine (126417-84-3)

Guidance literature:

In ethanol; at 70 ℃;

Reference yield:

para-bromoacetophenone (99-90-1) → 5-(4-bromophenyl)-2-methyl-pyrazol-3-amine (126417-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) POCl₃; 2) NH₂OH

2: 12 percent / ethanol / 5 h / Heating

With hydroxylamine; trichlorophosphate; In ethanol;

upstream raw materials:

(E)-3-(4-Bromo-phenyl)-3-chloro-acrylonitrile

methylhydrazine

para-bromoacetophenone

3-(4-bromophenyl)-3-oxopropanenitrile

Downstream raw materials:

N-[5-(4-Bromo-phenyl)-2-methyl-2H-pyrazol-3-yl]-4-methyl-benzenesulfonamide

Refernces

• 1、 -. "COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS". Page/Page column 115. . Retrieved 2010/06/11.