4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine
• CAS No.: 214416-40-7
• Molecular Formula: C₁₀H₉Cl₂N₃
• Molecular Weight: 242.108
• DSSTox Substance ID: DTXSID301227614
• Mol file: 214416-40-7.mol

Synonyms:214416-40-7;4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine;4-(2,4-Dichloro-phenyl)-5-methyl-2H-pyrazol-3-ylamine;DTXSID301227614;CID 10728831;CS-0285147;EN300-1148279;4-(2,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-amine

Chemical Property of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.0173527
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1)N)C2=C(C=C(C=C2)Cl)Cl

Technology Process of 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine

There total 2 articles about 4-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-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: 61.0%

1-cyano-1-(2,4-dichlorophenyl)propan-2-one (76562-15-7) → 5-amino-4-(2,4-dichlorophenyl)-3-methylpyrazole (214416-40-7)

Guidance literature:

With hydrazine hydrate; acetic acid; In toluene; for 5h; Heating;

DOI:10.1021/jm9904351

Reference yield:

2,4-Dichlorophenylacetonitrile (6306-60-1) → 5-amino-4-(2,4-dichlorophenyl)-3-methylpyrazole (214416-40-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / Na / 1 h / Heating

2: 61 percent / NH₂NH₂*H₂O; AcOH / toluene / 5 h / Heating

With sodium; hydrazine hydrate; acetic acid; In toluene; 1: Acylation / 2: Condensation;

DOI:10.1021/jm9904351

Reference yield: 71.0%

ethyl acetoacetate (141-97-9) + 5-amino-4-(2,4-dichlorophenyl)-3-methylpyrazole (214416-40-7) → 3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol

Guidance literature:

for 20h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2015.06.036

upstream raw materials:

1-cyano-1-(2,4-dichlorophenyl)propan-2-one

2,4-Dichlorophenylacetonitrile

Downstream raw materials:

3-(2,4-Dichloro-phenyl)-2,5-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-7-one

2,7-dimethyl-8-(2,4-dichlorophenyl)[1,5-a]pyrazolo-1,3,5-triazin-4(3H)-one

4-chloro-8-(2,4-dichlorophenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine