1-benzyl-3-tert-butyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine
• CAS No.: 866255-96-1
• Molecular Formula: C₁₄H₁₉N₃
• Molecular Weight: 229.325
• European Community (EC) Number: 841-723-9
• Mol file: 866255-96-1.mol

Synonyms:1-benzyl-3-tert-butyl-1H-pyrazol-5-amine;866255-96-1;1-Benzyl-3-(tert-butyl)-1H-pyrazol-5-amine;2-BENZYL-5-TERT-BUTYLPYRAZOL-3-AMINE;SCHEMBL1010749;HOUXXJHKQHEAJO-UHFFFAOYSA-N;MFCD08442469;AKOS000125074;MCULE-5039296528;AS-64576;DB-008042;CS-0037055;EN300-29791;W10151;Z228586598

Chemical Property of 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 229.157897619
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-3-tert-butyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=NN(C(=C1)N)CC2=CC=CC=C2

Technology Process of 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine

There total 4 articles about 1-benzyl-3-tert-butyl-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: 100.0%

trimethylacetylacetonitrile (59997-51-2) + benzylhydrazine dihydrochloride (20570-96-1) → 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine (866255-96-1)

Guidance literature:

With hydrogenchloride; In ethanol; Reflux;

DOI:10.1021/jm900607f

Reference yield: 100.0%

→ 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine (866255-96-1)

Guidance literature:

Reference yield: 36.0%

trimethylacetylacetonitrile (59997-51-2) + Benzylhydrazine (555-96-4) → 1-benzyl-3-tert-butyl-1H-pyrazol-5-amine (866255-96-1)

Guidance literature:

In ethanol; Reflux;

DOI:10.1021/jm2009925

upstream raw materials:

trimethylacetylacetonitrile

benzylhydrazine dihydrochloride

phenylhydrazine

Benzylhydrazine

Downstream raw materials:

phenyl 1-benzyl-3-tert-butyl-1H-pyrazol-5-ylcarbamate

1-(1-benzyl-3-tert-butyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea