3-(4-tert-butylphenyl)-1-methyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-(4-tert-butylphenyl)-1-methyl-1H-pyrazol-5-amine
• CAS No.: 175137-47-0
• Molecular Formula: C₁₄H₁₉N₃
• Molecular Weight: 229.325
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10370660
• Wikidata: Q82157788
• Mol file: 175137-47-0.mol

Synonyms:175137-47-0;3-(4-tert-butylphenyl)-1-methyl-1H-pyrazol-5-amine;5-(4-tert-butylphenyl)-2-methylpyrazol-3-amine;5-Amino-3-(4-tert-butylphenyl)-1-methyl-1H-pyrazole;3-(4-(tert-Butyl)phenyl)-1-methyl-1H-pyrazol-5-amine;HMS1440J03;Maybridge3_003369;Oprea1_629221;SCHEMBL15813619;DTXSID10370660;MFCD00067993;AKOS009157363;PS-7729;IDI1_014756;CS-0301070;FT-0717834;EN300-1855426;5-Amino-3-(4-(tert-butyl)phenyl)-1-methylpyrazole;5-AMINO-3-(4-TERT-BUTYLPHENYL)-1-METHYLPYRAZOLE;5-Amino-3-(4-tert-butylphenyl)-1-methyl-1H-pyrazole, AldrichCPR;5-Amino-3-[4-(tert-butyl)phenyl]-1-methyl-1H-pyrazole, 1-(5-Amino-1-methyl-1H-pyrazol-3-yl)-4-(tert-butyl)benzene

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

Chemical Property:

• PSA: 43.84000
• LogP: 3.54800
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.157897619
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-3-(4-tert-butylphenyl)-1-methyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)N)C

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

There total 2 articles about 3-(4-tert-butylphenyl)-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: 77.0%

methylhydrazine (60-34-4) + 3-(4-tert-butylphenyl)-3-oxopropanenitrile (39528-62-6) → 3-(4-(tert-butyl)phenyl)-1-methyl-1H-pyrazol-5-amine (175137-47-0)

Guidance literature:

In methanol; at 120 ℃; for 0.666667h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/acs.jmedchem.9b00826

Reference yield: 77.0%

→ 3-(4-(tert-butyl)phenyl)-1-methyl-1H-pyrazol-5-amine (175137-47-0)

Guidance literature:

In methanol; at 120 ℃; for 0.666667h; Microwave irradiation;

upstream raw materials:

methylhydrazine

3-(4-tert-butylphenyl)-3-oxopropanenitrile