1,4-diphenyl-1H-1,2,3-triazol-5-amine

Base Information

• Chemical Name: 1,4-diphenyl-1H-1,2,3-triazol-5-amine
• CAS No.: 29704-63-0
• Molecular Formula: C14H12 N4
• Molecular Weight: 236.276
• Hs Code.: 2933990090
• European Community (EC) Number: 621-153-5
• NSC Number: 160865
• DSSTox Substance ID: DTXSID20865517
• Nikkaji Number: J88.624F
• Mol file: 29704-63-0.mol

Synonyms:1,4-diphenyl-1H-1,2,3-triazol-5-amine;29704-63-0;3,5-diphenyltriazol-4-amine;1H-1,2,3-Triazol-5-amine, 1,4-diphenyl-;3,5-diphenyl-4-triazolamine;NSC160865;ChemDiv3_008373;Oprea1_165744;SCHEMBL543832;DTXSID20865517;HMS1496M13;STL131751;AKOS004904331;CCG-126323;NSC-160865;IDI1_026283;FT-0655173;A820015;SR-01000093374;SR-01000093374-1;BRD-K46932459-001-01-9

Chemical Property of 1,4-diphenyl-1H-1,2,3-triazol-5-amine

Chemical Property:

• Vapor Pressure: 1.56E-08mmHg at 25°C
• Boiling Point: 456.9°Cat760mmHg
• Flash Point: 230.1°C
• PSA: 56.73000
• Density: 1.24g/cm³
• LogP: 3.09770
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.106196400
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

1,4-DIPHENYL-5-AMINO-1,2,3-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)N

Technology Process of 1,4-diphenyl-1H-1,2,3-triazol-5-amine

There total 3 articles about 1,4-diphenyl-1H-1,2,3-triazol-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: 99.0%

phenylacetonitrile (140-29-4) + Phenyl azide (622-37-7) → 1,4-diphenyl-1H-1,2,3-triazol-5-amine (29704-63-0)

Guidance literature:

With caesium carbonate; In water; dimethyl sulfoxide; at 25 ℃; for 0.5h; Solvent; Reagent/catalyst; regioselective reaction;

DOI:10.1039/c5ra12308a

Reference yield:

phenyl-(5-phenyl-1H-[1,2,3]triazol-4-yl)-amine (53684-55-2) + ethylene glycol (107-21-1) → 1,4-diphenyl-1H-1,2,3-triazol-5-amine (29704-63-0)

Guidance literature:

at 133 ℃; Rate constant;

DOI:10.1021/ja01579a032

Reference yield:

→ 1,4-diphenyl-1H-1,2,3-triazol-5-amine (29704-63-0)

Guidance literature:

entspr. Azoverb., Hydrazinhydrat;

DOI:10.1021/jo00832a024

upstream raw materials:

phenyl-(5-phenyl-1H-[1,2,3]triazol-4-yl)-amine

ethylene glycol

phenylacetonitrile

Phenyl azide

Downstream raw materials:

phenyl-(5-phenyl-1H-[1,2,3]triazol-4-yl)-amine

3-(α-Cyanobenzylidene)-1-phenyltriazene

5-chloro-1,4-diphenyl-1H-1,2,3-triazole

N,4-diphenyl-1H-1,2,3-triazol-5-amine

Refernces

• 1、 Gribanov, Pavel S.,Atoian, Edita M.,Philippova, Anna N.,Topchiy, Maxim A.,Asachenko, Andrey F.,Osipov, Sergey N.. "One-Pot Synthesis of 5-Amino-1,2,3-triazole Derivatives via Dipolar Azide?Nitrile Cycloaddition and Dimroth Rearrangement under Solvent-Free Conditions". supporting information. p. 1378 - 1384. Retrieved 2021/02/26.