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

Base Information

• Chemical Name: 3-butyl-1H-pyrazol-5-amine
• CAS No.: 56367-26-1
• Molecular Formula: C7H13N3
• Molecular Weight: 139.201
• Hs Code.: 2933199090
• European Community (EC) Number: 842-642-1
• Mol file: 56367-26-1.mol

Synonyms:3-butyl-1H-pyrazol-5-amine;56367-26-1;5-butyl-1H-pyrazol-3-amine;5-BUTYL-1(2)H-PYRAZOL-3-YLAMINE;SCHEMBL4057745;SCHEMBL9140451;AKOS005199927;FT-0768639;EN300-53281;Z360168150

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

Chemical Property:

• Boiling Point: 324 °C at 760 mmHg
• Flash Point: 175.9 °C
• PSA: 54.70000
• Density: 1.078 g/cm³
• LogP: 1.52560
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 94.9

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=NN1)N

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

There total 4 articles about 3-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:

3-oxohexanenitrile (4388-92-5) → 5-propyl-3-amino-1H-pyrazole (56367-26-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 0 - 70 ℃; for 3h;

DOI:10.1002/bkcs.12005

Reference yield:

butanoic acid methyl ester (623-42-7) + acetonitrile (75-05-8,26809-02-9) → 5-propyl-3-amino-1H-pyrazole (56367-26-1)

Guidance literature:

With ammonia; sodium amide; Multistep reaction; 1.) 5 min, 2.) 1 h;

DOI:10.1248/cpb.46.69

Reference yield:

methyl valerate (624-24-8) + acetonitrile (75-05-8,26809-02-9) → 5-butyl-1(2)H-pyrazol-3-ylamine (56367-26-1)

Guidance literature:

With ammonia; sodium amide; Multistep reaction; 1.) 5 min, 2.) 1 h;

DOI:10.1248/cpb.46.69

upstream raw materials:

methyl valerate

acetonitrile

butanoic acid methyl ester

3-oxohexanenitrile

Downstream raw materials:

2-ethyl-6-propyl-5-[[2'-(N-triphenylmethyl-tetrazol-5-yl)biphenyl-4-yl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole

2-Methyl-6-propyl-5-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5H-pyrazolo[1,5-b][1,2,4]triazole

2-Ethyl-6-propyl-1H-pyrazolo[1,5-b][1,2,4]triazole

2-methyl-6-propyl-1H-pyrazolo[1,5-b][1,2,4]triazole

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