3-phenyl-4H-1,2,4-triazol-4-amine

Base Information

• Chemical Name: 3-phenyl-4H-1,2,4-triazol-4-amine
• CAS No.: 38345-23-2
• Molecular Formula: C8H8N4
• Molecular Weight: 160.178
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60427855
• Wikidata: Q82240571
• Mol file: 38345-23-2.mol

Synonyms:3-phenyl-4H-1,2,4-triazol-4-amine;38345-23-2;4H-1,2,4-Triazol-4-amine,3-phenyl-;3-phenyl-1,2,4-triazol-4-amine;SCHEMBL544634;DTXSID60427855;AKOS022225592;EN300-14325

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

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 371.3 °C at 760 mmHg
• Flash Point: 178.4 °C
• PSA: 56.73000
• Density: 1.32 g/cm³
• LogP: 1.24010
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.074896272
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99%, ^*data from raw suppliers

3-PHENYL-4H-1,2,4-TRIAZOL-4-AMINE 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=NN=CN2N

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

There total 6 articles about 3-phenyl-4H-1,2,4-triazol-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: 79.0%

2-phenyl-1,3,4-oxadiazole (825-56-9) → 4-amino-3-phenyl-1,2,4-triazole (38345-23-2)

Guidance literature:

With hydrazine hydrate; at 140 ℃;

DOI:10.3390/60500481

Reference yield: 47.0%

Formic acid [1-ethoxy-1-phenyl-meth-(E)-ylidene]-hydrazide (209797-66-0) → 4-amino-3-phenyl-1,2,4-triazole (38345-23-2)

Guidance literature:

With hydrazine hydrate; In water; Heating;

DOI:10.1002/jhet.5570350220

Reference yield:

ethyl benzimidate hydrochloride (5333-86-8) → 4-amino-3-phenyl-1,2,4-triazole (38345-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / ethanol / 6 h / 0 - 5 °C

2: 47 percent / hydrazine hydrate / H₂O / Heating

With hydrazine hydrate; In ethanol; water;

DOI:10.1002/jhet.5570350220

upstream raw materials:

4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione

Formic acid [1-ethoxy-1-phenyl-meth-(E)-ylidene]-hydrazide

2-phenyl-1,3,4-oxadiazole

ethyl benzimidate hydrochloride

Downstream raw materials:

3-phenyl-1,2,4-triazole

1-benzyl-3-phenyl-1,2,4-1H-triazole

Refernces

• 1、 Ikizler, Aykut A.,Yildirim, Nuri. "A Study on Ester Formylhydrazones". . p. 377 - 380. Retrieved 2007/10/03.