1H-Pyrazol-4-ylamine dihydrochloride

Base Information

• Chemical Name: 1H-Pyrazol-4-ylamine dihydrochloride
• CAS No.: 103286-58-4
• Molecular Formula: C₃H₅N₃*ClH
• Molecular Weight: 119.554
• Hs Code.: 2933199090
• European Community (EC) Number: 828-309-3
• DSSTox Substance ID: DTXSID70537813
• Mol file: 103286-58-4.mol

Synonyms:103286-58-4;1H-PYRAZOL-4-YLAMINE DIHYDROCHLORIDE;1H-Pyrazol-4-amine dihydrochloride;1H-pyrazol-4-amine;dihydrochloride;C3H7Cl2N3;pyrazole-4-amine dihydrochloride;SCHEMBL15476008;DTXSID70537813;1H-Pyrazol-4-aminedihydrochloride;CSHPTYYIGQDPOJ-UHFFFAOYSA-N;MFCD09878922;AKOS024260969;SB30290;4-AMINO-1H-PYRAZOLE DIHYDROCHLORIDE;4-Amino-1H-pyrazole dihydrochloride, 95%;CS-0342795;1H-Pyrazol-4-amine--hydrogen chloride (1/2);EN300-344637

Chemical Property of 1H-Pyrazol-4-ylamine dihydrochloride

Chemical Property:

• PSA: 54.70000
• LogP: 2.17710
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 155.0017026
• Heavy Atom Count: 8
• Complexity: 45.3

Purity/Quality:

97% ^*data from raw suppliers

1H-Pyrazol-4-ylamineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NN1)N.Cl.Cl

Technology Process of 1H-Pyrazol-4-ylamine dihydrochloride

There total 2 articles about 1H-Pyrazol-4-ylamine dihydrochloride 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: 74.0%

4-nitro-1H-pyrazole (2075-46-9) → 3-chloro-1H-pyrazol-4-amine hydrochloride + 1H-pyrazol-4-amine hydrochloride (103286-58-4)

Guidance literature:

With hydrogenchloride; 5% palladium on Al₂O₃; hydrogen; In ethanol; water; at 30 ℃; under 1535.79 Torr; Reagent/catalyst; Temperature; Pressure; Autoclave;

Reference yield:

4-nitro-1H-pyrazole (2075-46-9) → 3-chloro-1H-pyrazole-4-amine hydrochloride (63680-90-0) + 1H-pyrazol-4-ylamine hydrochloride (4331-28-6,103286-58-4)

Guidance literature:

With hydrogenchloride; triethylsilane; Pd/Al₂O₃; In ethanol; water; at 15 ℃; for 73h; Overall yield = 99 %; Overall yield = 65.5 g; Inert atmosphere;

Reference yield: 88.0%

1H-pyrazol-4-ylamine hydrochloride (4331-28-6,103286-58-4) + (S)-2-(methylcarbamoyl)-6-(1-phenylethyl)isonicotinic acid → (S)-N2-methyl-6-(1-phenylethyl)-N4-(1H-pyrazol-4-yl)pyridine-2,4-dicarboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

4-nitro-1H-pyrazole

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