3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride

Base Information

• Chemical Name: 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride
• CAS No.: 317806-86-3
• Molecular Formula: C₁₄H₁₉N₃*ClH
• Molecular Weight: 265.786
• Hs Code.: 2933199090
• European Community (EC) Number: 843-138-4
• DSSTox Substance ID: DTXSID80475358
• Mol file: 317806-86-3.mol

Synonyms:3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride;317806-86-3;5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amine;hydrochloride;SCHEMBL1504021;DTXSID80475358;OKHVHZRMWCZFFO-UHFFFAOYSA-N;3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-aminehydrochloride;FT-0688899;5-Amino-3-t-butyl-1-p-tolylpyrazole hydrochloride;3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine.hydrochloride;3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-aminium chloride;3-Amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride;3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine hydrochloride

Chemical Property of 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride

Chemical Property:

• Melting Point: 195℃(DEC.)
• Boiling Point: 368.3 °C at 760 mmHg
• Flash Point: 176.5 °C
• PSA: 43.84000
• LogP: 4.44360
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.1345753
• Heavy Atom Count: 18
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N.Cl

Technology Process of 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride

There total 1 articles about 3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine hydrochloride 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: 98.0%

trimethylacetylacetonitrile (59997-51-2) + p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) → 3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride (317806-86-3)

Guidance literature:

In methanol; at 120 ℃; for 1h; microwave irradiation;

DOI:10.1039/b611493h

Reference yield: 95.0%

phenyl chloroformate (1885-14-9) + 3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride (317806-86-3) → [5-tert-butyl-2-(4-methylphenyl)-2H-pyrazol-3-yl]carbamic acid phenyl ester (285984-47-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -10 - 0 ℃; for 0.5h;

Reference yield:

3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride (317806-86-3) → 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(4-methyl-3-nitrophenyl)urea (1082296-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide; water / ethyl acetate / 0.25 h / 0 °C

1.2: 6 h / 20 °C

2.1: N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 4 h / 60 °C

With sodium hydroxide; water; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; ethyl acetate;

upstream raw materials:

trimethylacetylacetonitrile

p-tolylhydrazine hydrochloride

Downstream raw materials:

[5-tert-butyl-2-(4-methylphenyl)-2H-pyrazol-3-yl]carbamic acid phenyl ester

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(4-methyl-3-nitrophenyl)urea

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