3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine

Base Information

• Chemical Name: 3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
• CAS No.: 21683-30-7
• Molecular Formula: C11H13 N3
• Molecular Weight: 187.244
• Hs Code.: 2933199090
• European Community (EC) Number: 852-123-1
• DSSTox Substance ID: DTXSID30427544
• Nikkaji Number: J1.230.325D
• Wikidata: Q82240200
• ChEMBL ID: CHEMBL1401907
• Mol file: 21683-30-7.mol

Synonyms:3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine;21683-30-7;3,5-dimethyl-1-phenylpyrazol-4-amine;MLS000807073;SCHEMBL6966371;CHEMBL1401907;DTXSID30427544;TQP0911;FDTJXJNAWWVIKC-UHFFFAOYSA-N;HMS2679J10;MFCD00233463;phenyl-3,5-dimethyl-4-aminopyrazole;STK328175;AKOS000313173;4-amino-3,5-dimethyl-1-phenylpyrazole;BS-13928;SMR000376190;1-Phenyl-3,5-dimethyl-1H-pyrazole-4-amine;BB 0258688;CS-0241962;FT-0758541;EN300-24225;J-511343;F2124-0257;Z169917672

Chemical Property of 3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine

Chemical Property:

• Vapor Pressure: 0.00025mmHg at 25°C
• Melting Point: 88.8°C
• Refractive Index: 1.611
• Boiling Point: 324.1°Cat760mmHg
• Flash Point: 149.8°C
• PSA: 43.84000
• Density: 1.14g/cm³
• LogP: 2.65250
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

99%min ^*data from raw suppliers

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)N

Technology Process of 3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine

There total 4 articles about 3,5-dimethyl-1-phenyl-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: 50.0%

1-phenyl-3,5-dimethyl-4-nitrosopyrazole (715-99-1) → N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amine (21683-30-7)

Guidance literature:

With titanium(IV) oxide; In ethanol; for 4h; Irradiation;

DOI:10.3987/com-99-8702

Reference yield: 32.0%

3,5-dimethyl-4-nitro-1-phenyl-1H-pyrazole (5809-38-1) → N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amine (21683-30-7) + 4,5-trans-3,5-dimethyl-4-nitro-1-phenyl-2-pyrazoline + 4,5-cis-3,5-dimethyl-4-nitro-1-phenyl-2-pyrazoline

Guidance literature:

With LilH₄; In diethyl ether; at 25 ℃; for 2h; Yields of byproduct given;

DOI:10.1016/S0040-4020(97)00514-0

Reference yield:

3,5-dimethyl-4-nitro-1-phenyl-1H-pyrazole (5809-38-1) → N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amine (21683-30-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; chloroform; at 20 ℃; for 48h; under 3040.2 Torr;

DOI:10.1021/acs.jmedchem.8b01106

upstream raw materials:

1-phenyl-3,5-dimethyl-4-nitrosopyrazole

3,5-dimethyl-4-nitro-1-phenyl-1H-pyrazole

3-methyl-4-nitro-1-phenyl-1H-pyrazole

Downstream raw materials:

Methyl <<4-(3,5-dimethyl-1-phenyl)pyrazolyl>amino>(phenylhydrazono)acetate

Refernces

• 1、 Pace, Andrea,Buscemi, Silvestre,Vivona, Nicolò,Caronna, Tullio. "Sensitized photoreduction of nitrosoazoles on titanium dioxide". . p. 183 - 190. Retrieved 2007/10/03.