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

Base Information

• Chemical Name: 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS No.: 142954-77-6
• Molecular Formula: C11H10N4
• Molecular Weight: 198.227
• DSSTox Substance ID: DTXSID70415369
• Nikkaji Number: J702.698F

Synonyms:142954-77-6;5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine;5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]Triazolo[1,5-a]pyrimidine, 1,7-dihydro-5-phenyl-;Oprea1_364412;DTXSID70415369;CC-PMLSC-PW-03AACA007;UPDDI-00398587;STK675352;AKOS003624213;SR-01000524213;SR-01000524213-1;5-phenyl-4,7-dihydro-1,2,4-triazolo[ 1,5-a]pyrimidine

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

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.090546336
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(NC2=NC=NN21)C3=CC=CC=C3

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

There total 1 articles about 5-Phenyl-1,7-dihydro-[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:

3(5)-amino-1,2,4-triazole (61-82-5) + 3-(dimethylamino)propiophenone hydrochloride (879-72-1) → 5-phenyl-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine (142954-77-6)

Guidance literature:

In N,N-dimethyl-formamide; for 0.5h; Yield given; Heating;

DOI:10.1007/BF00471754

Reference yield: 85.0%

5-phenyl-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine (142954-77-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

Guidance literature:

5-phenyl-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine; N,N-dimethyl-formamide; With trichlorophosphate; at 90 ℃; for 3h; Inert atmosphere;

With water;

DOI:10.1016/j.tetlet.2017.02.035

Reference yield: 75.0%

5-phenyl-4,7-dihydro-1,2,4-triazolo<1,5-a>pyrimidine (142954-77-6) → 5-phenyl-1,2,4-triazolo<1,5-a>pyrimidine (39573-73-4)

Guidance literature:

With bromine; In acetic acid; for 0.333333h;

DOI:10.1007/BF00471754

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

3-(dimethylamino)propiophenone hydrochloride

Downstream raw materials:

5-phenyl-1,2,4-triazolo<1,5-a>pyrimidine

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