5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Base Information

• Chemical Name: 5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS No.: 118787-61-4
• Molecular Formula: C17H12N4
• Molecular Weight: 272.309
• DSSTox Substance ID: DTXSID60385401
• Nikkaji Number: J759.993E
• Wikidata: Q82178164
• ChEMBL ID: CHEMBL1579882
• Mol file: 118787-61-4.mol

Synonyms:5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine;118787-61-4;5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-diphenyl-;Enamine_001378;Cambridge id 5217748;MLS000717981;CHEMBL1579882;DTXSID60385401;HMS1397O14;HMS2665B20;STK083468;AKOS000561310;CCG-274647;NCGC00240891-01;SMR000279549;5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine;BRD-K44618881-001-09-7

Chemical Property of 5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.106196400
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

99.90% ^*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=CC(=NC3=NC=NN23)C4=CC=CC=C4

Technology Process of 5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine

There total 11 articles about 5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine 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: 90.0%

5,7-diphenyl-4,7-dihydro-1,2,4-triazolo-<1,5-a>pyrimidine (118757-35-0) → 5,7-diphenyl-1,2,4-triazolo-[1,5-α]-pyrimidine (118787-61-4)

Guidance literature:

With bromine; In acetic acid; for 1h; Ambient temperature;

DOI:10.1007/BF00473964

Reference yield: 86.0%

7-phenyl-1,2,4-triazolo<1,5-a>pyrimidine (39573-72-3) + bromobenzene (108-86-1,52753-63-6) → 5,7-diphenyl-1,2,4-triazolo-[1,5-α]-pyrimidine (118787-61-4)

Guidance literature:

bromobenzene; With magnesium; In tetrahydrofuran;

7-phenyl-1,2,4-triazolo<1,5-a>pyrimidine; In tetrahydrofuran; at -78 - 50 ℃; for 3h;

With oxygen; In tetrahydrofuran; at 50 ℃; for 2h;

DOI:10.1016/j.tet.2017.07.042

Reference yield: 79.0%

5,7-diphenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine → 5,7-diphenyl-1,2,4-triazolo-[1,5-α]-pyrimidine (118787-61-4)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 20 ℃; for 6h;

DOI:10.1016/j.tet.2017.07.042

upstream raw materials:

5,7-diphenyl-4,7-dihydro-1,2,4-triazolo-<1,5-a>pyrimidine

1,3-diphenylpropanedione

3-amino-1,2,4-triazole

benzalacetophenone

Downstream raw materials:

cis-[Pd(5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine)Cl₂]*H₂O

trans-[PtCl₂(DMSO)(5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine]

dichlorobis(5,7-diphenyl-1,2,4-triazolo[1,5-.alpha]pyrimidine)cobalt(II)

dichlorobis(5,7-diphenyl-1,2,4-triazolo[1,5-.alpha]pyrimidine)zinc(II)

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