4-Isopropyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4-Isopropyl-1H-pyrazol-3-amine
• CAS No.: 151521-49-2
• Molecular Formula: C6H11N3
• Molecular Weight: 125.17
• Hs Code.: 2933199090
• European Community (EC) Number: 812-196-2
• DSSTox Substance ID: DTXSID80597266
• Wikidata: Q72486230
• Mol file: 151521-49-2.mol

Synonyms:151521-49-2;4-ISOPROPYL-1H-PYRAZOL-3-AMINE;4-isopropyl-1H-pyrazol-5-amine;1H-Pyrazol-3-amine, 4-(1-methylethyl)-;4-propan-2-yl-1H-pyrazol-5-amine;4-(propan-2-yl)-1H-pyrazol-3-amine;4-(Propan-2-yl)-1H-pyrazol-5-amine;4-lsopropyl-1H-pyrazol-3-ylamine;MFCD11847237;4-Isopropyl-2H-pyrazol-3-ylamine;3-amino-4-isopropylpyrazole;3-amino-4-isopropyl-pyrazole;SCHEMBL599519;AMY6494;DTXSID80597266;UQTLFNBARWAWIS-UHFFFAOYSA-N;4-Isopropyl-1H-pyrazol-3-ylamine;MFCD11112127;AKOS006344513;AKOS015841851;AKOS025395178;CS-W000400;AS-41809;SY069100;DB-022611;EN300-136188;A851395;F9994-5215;Z1198316279

Chemical Property of 4-Isopropyl-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 295.776 °C at 760 mmHg
• PKA: 16.12±0.50(Predicted)
• Flash Point: 157.794 °C
• PSA: 54.70000
• Density: 1.104 g/cm³
• LogP: 1.69650
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.095297364
• Heavy Atom Count: 9
• Complexity: 92.3

Purity/Quality:

97% ^*data from raw suppliers

4-(Propan-2-yl)-1H-pyrazol-3-amine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(NN=C1)N

Technology Process of 4-Isopropyl-1H-pyrazol-3-amine

There total 6 articles about 4-Isopropyl-1H-pyrazol-3-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: 96.0%

2-formyl-3-methylbutanenitrile (771510-15-7) → 4-isopropyl-1H-pyrazol-3-amine (151521-49-2)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; for 16h; Reflux;

Reference yield: 64.2%

2-formyl-3-methylbutanenitrile (771510-15-7) → 4-isopropyl-1 H-pyrazol-5-amine (151521-49-2)

Guidance literature:

2-formyl-3-methylbutanenitrile; With acetic acid; hydrazine; In ethanol; for 16h; Heating / reflux;

With water; sodium hydrogencarbonate; In ethanol;

Reference yield:

Isovaleronitrile (625-28-5) → 4-isopropyl-1 H-pyrazol-5-amine (151521-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / -78 °C

1.2: 16.5 h / -78 - 20 °C

2.1: hydrazine hydrate; acetic acid / ethanol / 16 h / Reflux

With hydrazine hydrate; acetic acid; lithium diisopropyl amide; In tetrahydrofuran; ethanol;

upstream raw materials:

Isovaleronitrile

Methyl formate

2-formyl-3-methylbutanenitrile

Downstream raw materials:

5,7-dichloro-3-iso-propyl-pyrazolo[1,5-a]pyrimidine

benzyl-(5-chloro-3-iso-propylpyrazolo[1,5-a]pyrimidin-7-yl)-amine

benzyl (5-chloro-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid tert-butyl ester

tert-butyl benzyl(5-((6-((tert-butoxycarbonyl)amino)hexyl)amino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate