3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine

Base Information

• Chemical Name: 3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
• CAS No.: 89569-61-9
• Molecular Formula: C12H13N3
• Molecular Weight: 199.255
• DSSTox Substance ID: DTXSID80363140
• Nikkaji Number: J2.300.337F
• Wikidata: Q82146716
• ChEMBL ID: CHEMBL1392847

Synonyms:89569-61-9;3-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine;3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;SMR000180493;MLS000327473;CHEMBL1392847;SCHEMBL14353248;DTXSID80363140;HMS2396H17;MFCD01936285;AKOS015992860;3-Phenyl-4,5-butano-4H-1,2,4-triazole;5B-098

Chemical Property of 3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.110947427
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2C(=NN=C2C3=CC=CC=C3)C1

Technology Process of 3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine

There total 3 articles about 3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine 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: 77.0%

2,3,4,5-tetrahydro-6-methoxypyridine (5693-62-9) → 3-phenyl-5,6,7,8-tetrahydro-1,2,4-triazolo<4,3-a>pyridine (89569-61-9)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; nitrogen; benzoic acid hydrazide; ethyl acetate;

Reference yield: 3.6%

2,3,4,5-tetrahydro-6-methoxypyridine (5693-62-9) + benzoic acid hydrazide (613-94-5) → 3-phenyl-5,6,7,8-tetrahydro-1,2,4-triazolo<4,3-a>pyridine (89569-61-9)

Guidance literature:

In xylene; for 1h; Heating;

Reference yield:

3-phenyl-[1,2,4]triazolo[4,3-a]pyridine (778-65-4) → 3-phenyl-5,6,7,8-tetrahydro-1,2,4-triazolo<4,3-a>pyridine (89569-61-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In hydrogenchloride; ethanol; under 3620.04 Torr; Ambient temperature;

upstream raw materials:

2,3,4,5-tetrahydro-6-methoxypyridine

benzoic acid hydrazide

3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

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