3,4-diphenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3,4-diphenyl-1H-pyrazol-5-amine
• CAS No.: 63633-46-5
• Molecular Formula: C15H13N3
• Molecular Weight: 235.28400
• European Community (EC) Number: 834-204-3
• DSSTox Substance ID: DTXSID70353171
• Wikidata: Q82130637
• ChEMBL ID: CHEMBL1531879

Synonyms:3,4-diphenyl-1H-pyrazol-5-amine;63633-46-5;4,5-diphenyl-1H-pyrazol-3-amine;SMR000111836;Maybridge3_003176;Cambridge id 5618708;Oprea1_397260;MLS000107469;SCHEMBL5820038;CHEMBL1531879;SCHEMBL19926065;DTXSID70353171;HMS1440A08;HMS2472A23;3,4-diphenyl-1H-pyrazol-5-ylamine;CCG-44332;MFCD01107800;AKOS009352169;SB13192;IDI1_014563;CS-0142653;EN300-59431;3,4-diphenyl-1H-pyrazol-5-amine, AldrichCPR;D85556;AK-249/37115005;SR-01000214914;SR-01000214914-1;SR-01000214914-3;Z234895021

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

Chemical Property:

• Melting Point: 143-146 °C
• Boiling Point: 445.3±45.0 °C(Predicted)
• PSA: 55.43000
• Density: 1.213±0.06 g/cm3(Predicted)
• LogP: 3.25600
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.110947427
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NN=C2N)C3=CC=CC=C3

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

There total 11 articles about 3,4-diphenyl-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: 98.0%

3-oxo-2,3-diphenyl-propionitrile (5415-07-6) → 3,4-diphenyl-1H-pyrazol-5-amine (63633-46-5)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; Reflux;

DOI:10.1021/acs.jmedchem.0c01895

Reference yield: 89.0%

5,6-diphenyl-6H-1,3,4-thiadiazin-2-amine (55185-79-0) → 3-amino-4,5-diphenyl-1H-pyrazole (63633-46-5)

Guidance literature:

In ethanol; at 30 ℃; for 20h; ultrasound;

Reference yield: 88.0%

3-oxo-2,3-diphenyl-propionitrile (5415-07-6) → 3-amino-4,5-diphenyl-1H-pyrazole (63633-46-5)

Guidance literature:

With hydrogenchloride; hydrazine hydrate; In ethanol; for 9h; Heating;

DOI:10.1021/jm049631k

upstream raw materials:

3-oxo-2,3-diphenyl-propionitrile

phenylacetonitrile

benzoic acid methyl ester

5,6-diphenyl-6H-1,3,4-thiadiazin-2-amine

Downstream raw materials:

7-amino-2,3,6-triphenylpyrazolo<1,5-a>pyrimidine

2,3,6-triphenylpyrazolo<1,5-a>pyrimidine

4,5-dihydro-2,3,6-triphenylpyrazolo<1,5-a>pyrimidine

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