4-phenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 4-phenyl-1H-pyrazol-5-amine
• CAS No.: 5591-70-8
• Molecular Formula: C9H9N3
• Molecular Weight: 159.191
• Hs Code.: 2933199090
• European Community (EC) Number: 664-108-5,676-611-7
• DSSTox Substance ID: DTXSID10204512
• Nikkaji Number: J1.916.333D,J51.196J
• Wikidata: Q83077949
• ChEMBL ID: CHEMBL1391894
• Mol file: 5591-70-8.mol

Synonyms:4-phenyl-1H-pyrazol-5-amine;5591-70-8;4-phenyl-1H-pyrazol-3-amine;57999-06-1;3-amino-4-phenyl-1h-pyrazole;3-amino-4-phenylpyrazole;4-Phenyl-2H-pyrazol-3-ylamine;USAF EL-34;4-Phenyl-1H-pyrazol-3-ylamine;3-Amino-4-phenyl pyrazole;SKF 1572;1H-Pyrazol-3-amine, 4-phenyl-;BRN 0742774;Pyrazole, 3-amino-4-phenyl-;CHEMBL1391894;1H-Pyrazol-4-amine, 4-phenyl-;MFCD00231797;Pyrazole, 3(or 5)-amino-4-phenyl-;1H-Pyrazol-4-amine, 4-phenyl- (9CI);Phenyl pyrazole amine;4-Phenylpyrazol-3-amine;5-amino-4-phenylpyrazole;3-amino-4-phenyl-pyrazole;Oprea1_165147;Oprea1_397356;MLS000731348;SCHEMBL461478;4-Phenyl-1H-pyrazole-5-amine;DTXSID10204512;HMS2596A07;HMS3381C09;(4-phenyl-1H-pyrazol-3-yl)-amine;BBL007579;BDBM50321326;MFCD01693715;STK161390;AKOS000271446;AKOS005143700;3-Amino-4-phenyl-1H-pyrazole, 97%;FS-1251;NCGC00245916-01;CS-10738;SMR000309623;LS-128031;AM20040766;BB 0218885;CS-0099425;FT-0680447;FT-0716928;Pyrazole, 3(or 5)-amino-4-phenyl- (6CI);5H-041;EN300-187268;A831698;J-515932;Z57912392;F3250-0605

Chemical Property of 4-phenyl-1H-pyrazol-5-amine

Chemical Property:

• Melting Point: 170-173℃
• Boiling Point: 394.4 °C at 760 mmHg
• PKA: 15.22±0.50(Predicted)
• Flash Point: 220.9 °C
• PSA: 54.70000
• Density: 1.238 g/cm³
• LogP: 2.24010
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N

Technology Process of 4-phenyl-1H-pyrazol-5-amine

There total 11 articles about 4-phenyl-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: 95.0%

(Z)-2-phenyl-3-(piperidin-1-yl)acrylonitrile (57488-21-8) → 4-phenyl-1H-pyrazol-3-ylamine (5591-70-8)

Guidance literature:

With hydrazine hydrate; acetic acid; for 0.0333333h; Heating; microwave irradiation;

DOI:10.1002/jhet.5570450202

Reference yield: 75.0%

phenyl(formyl)acetonitrile (5841-70-3) → 4-phenyl-1H-pyrazol-3-ylamine (5591-70-8)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; at 50 ℃; for 7h; Reflux;

DOI:10.1134/S1070428014030191

Reference yield: 67.0%

2-phenyl-3-(piperidin-1-yl)acrylonitrile (18226-53-4) → 4-phenyl-1H-pyrazol-3-ylamine (5591-70-8)

Guidance literature:

With hydrazine hydrate; acetic acid; In N,N-dimethyl-formamide; for 0.05h; Microwave irradiation;

DOI:10.3998/ark.5550190.0007.f16

upstream raw materials:

phenyl(formyl)acetonitrile

(Z)-2-phenyl-3-(piperidin-1-yl)acrylonitrile

2-dimethylaminomethylene-2-phenylacetonitrile

benzoyl cyanide

Downstream raw materials:

7-amino-3,6-diphenylpyrazolo<1,5-a>pyrimidine

3,8-Diphenyl-pyrazolo<5,1-d>-1,2,3,5-tetrazin-4(3H)-on

5-Amino-N,4-diphenyl-1H-pyrazol-1-carboxamid

3-Amino-N,4-diphenyl-1H-pyrazol-1-carboxamid