1-isobutyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-isobutyl-1H-pyrazol-5-amine
• CAS No.: 3524-18-3
• Molecular Formula: C7H13 N3
• Molecular Weight: 139.2
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90406991
• Wikidata: Q82212182
• Mol file: 3524-18-3.mol

Synonyms:1-isobutyl-1H-pyrazol-5-amine;3524-18-3;2-(2-methylpropyl)pyrazol-3-amine;1-(2-methylpropyl)-1H-pyrazol-5-amine;2-Isobutylpyrazol-3-amine;SCHEMBL22633135;DTXSID90406991;HMS1780L20;AMY33126;MFCD06655406;AKOS000118242;BS-36738;1-Isobutyl-1H-pyrazol-5-amine, AldrichCPR;CS-0232185;FT-0751931;EN300-12653;A874691;J-504810;Z85923420

Chemical Property of 1-isobutyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 257.6°Cat760mmHg
• Flash Point: 109.6°C
• PSA: 43.84000
• Density: 1.09g/cm³
• LogP: 1.70250
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C(=CC=N1)N

Technology Process of 1-isobutyl-1H-pyrazol-5-amine

There total 1 articles about 1-isobutyl-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:

→ 1-(2-methylpropyl)-1H-pyrazol-5-amine (3524-18-3)

Guidance literature:

Hydrazon aus Isobutyraldehyd, Hydrazin, CH2=CHCN u. bas. Kat.;

Reference yield: 77.0%

methyl 2-bromo-4,6-bis(methoxymethoxy)benzoate + 1-(2-methylpropyl)-1H-pyrazol-5-amine (3524-18-3) → methyl 2-((1-isobutyl-1H-pyrazol-5-yl)amino)-4,6-bis(methoxymethoxy)benzoate

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium phenoxide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 170 ℃; for 2h; Inert atmosphere; Microwave irradiation; Sealed tube;

DOI:10.1021/acs.jmedchem.9b00826

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