3-(4-chlorophenyl)-1H-pyrazol-4-amine

Base Information

• Chemical Name: 3-(4-chlorophenyl)-1H-pyrazol-4-amine
• CAS No.: 91857-91-9
• Molecular Formula: C₉H₈ClN₃
• Molecular Weight: 193.636
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60919482
• Wikidata: Q82892006
• Mol file: 91857-91-9.mol

Synonyms:3-(4-chlorophenyl)-1H-pyrazol-4-amine;91857-91-9;5-(4-chlorophenyl)-1H-pyrazol-4-amine;4-Amino-5-(p-chlorophenyl)pyrazole;Pyrazole, 4-amino-5-(p-chlorophenyl)-;1H-Pyrazol-4-amine, 3-(4-chlorophenyl)-;DTXSID60919482;MFCD10758055;AKOS005071616;AC-0221;CS-0067822;D73535;EN300-1967440;A905219;J-510675

Chemical Property of 3-(4-chlorophenyl)-1H-pyrazol-4-amine

Chemical Property:

• Melting Point: 136-138°
• PSA: 54.70000
• LogP: 2.89350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.0406750
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=NN2)N)Cl

Technology Process of 3-(4-chlorophenyl)-1H-pyrazol-4-amine

There total 3 articles about 3-(4-chlorophenyl)-1H-pyrazol-4-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:

2-[(Z)-1-(4-Chloro-benzoyl)-2-dimethylamino-vinyl]-isoindole-1,3-dione → 3-(4-chloro-phenyl)-1H-pyrazol-4-ylamine (91857-91-9)

Guidance literature:

With hydrazine; In ethanol; for 2h; Heating;

DOI:10.1016/S0960-894X(03)00621-8

Reference yield:

1-phthalimido-2-(4-chlorophenyl)-2-ethanone (82585-51-1) → 3-(4-chloro-phenyl)-1H-pyrazol-4-ylamine (91857-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: NH₂NH₂ / ethanol / 2 h / Heating

With hydrazine; In ethanol;

DOI:10.1016/S0960-894X(03)00621-8

Reference yield:

2-[3-(4-chloro-phenyl)-1H-pyrazol-4-yl]-isoindole-1,3-dione → 3-(4-chloro-phenyl)-1H-pyrazol-4-ylamine (91857-91-9)

Guidance literature:

With hydrazine; In ethanol; Heating;

DOI:10.1016/S0960-894X(03)00621-8

upstream raw materials:

1-phthalimido-2-(4-chlorophenyl)-2-ethanone

Downstream raw materials:

3-[3-(4-chloro-phenyl)-1H-pyrazol-4-ylamino]-but-2-enoic acid ethyl ester

7-chloro-5-methyl-3-(4-chlorophenyl)-1H-pyrazolo[4,3-b]pyridine

3-(4-chloro-phenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-ol

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