Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-

Base Information

• Chemical Name: Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-
• CAS No.: 141079-05-2
• Molecular Formula: C₂₂H₂₀N₄O
• Molecular Weight: 356.427
• DSSTox Substance ID: DTXSID50161554
• Wikidata: Q83029977
• Mol file: 141079-05-2.mol

Synonyms:141079-05-2;BRN 5453835;Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-;4-(5-((4-Methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine;4-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine;4-(5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-Y L)PYRIDINE;DTXSID50161554;XJSCRALNUGHQKA-UHFFFAOYSA-N;LS-131825

Chemical Property of Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-

Chemical Property:

• Vapor Pressure: 5.52E-14mmHg at 25°C
• Boiling Point: 591.9°Cat760mmHg
• Flash Point: 311.8°C
• PSA: 52.83000
• Density: 1.17g/cm³
• LogP: 4.52510
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 356.16371127
• Heavy Atom Count: 27
• Complexity: 440

Purity/Quality:

4-(5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-Y L)PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)COC4=CC=C(C=C4)C

Technology Process of Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-

There total 5 articles about Pyridine, 4-(5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)- 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:

N-p-Tolyl-2-p-tolyloxy-acetamide (141079-21-2) → 4-(4-p-Tolyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-yl)-pyridine (141079-05-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / Lawesson's reagent / toluene / 2 h / Heating

2: K₂CO₃ / acetone / 4 h / Heating

3: dimethylformamide / 6 h / Heating

With Lawessons reagent; potassium carbonate; In N,N-dimethyl-formamide; acetone; toluene;

Reference yield:

N-p-Tolyl-2-p-tolyloxy-thioacetamide (141079-26-7) → 4-(4-p-Tolyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-yl)-pyridine (141079-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 4 h / Heating

2: dimethylformamide / 6 h / Heating

With potassium carbonate; In N,N-dimethyl-formamide; acetone;

Reference yield:

N-(p-tolyl)-2-chloroacetamide (16634-82-5) → 4-(4-p-Tolyl-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-yl)-pyridine (141079-05-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 75 percent / K₂CO₃ / acetone / 4 h / Heating

2: 70 percent / Lawesson's reagent / toluene / 2 h / Heating

3: K₂CO₃ / acetone / 4 h / Heating

4: dimethylformamide / 6 h / Heating

With Lawessons reagent; potassium carbonate; In N,N-dimethyl-formamide; acetone; toluene;

upstream raw materials:

isoniazid

N-p-Tolyl-2-p-tolyloxy-thioacetimidic acid methyl ester

p-cresol

N-p-Tolyl-2-p-tolyloxy-acetamide