1-Phenethyl-1H-benzo[d][1,2,3]triazole

Base Information

• Chemical Name: 1-Phenethyl-1H-benzo[d][1,2,3]triazole
• CAS No.: 63777-68-4
• Molecular Formula: C₁₄H₁₃N₃
• Molecular Weight: 223.277
• DSSTox Substance ID: DTXSID001320506
• Nikkaji Number: J1.593.226K
• ChEMBL ID: CHEMBL1303829
• Mol file: 63777-68-4.mol

Synonyms:1-Phenethyl-1H-benzo[d][1,2,3]triazole;63777-68-4;1-(2-phenylethyl)benzotriazole;1-(2-phenylethyl)-1H-1,2,3-benzotriazole;1-phenethyl-1H-benzotriazole;ChemDiv3_005895;MLS000675374;SCHEMBL3428426;CHEMBL1303829;DTXSID001320506;HMS1489L21;HMS2748N15;AKOS001680931;IDI1_023805;SMR000293065;CS-0363812

Chemical Property of 1-Phenethyl-1H-benzo[d][1,2,3]triazole

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.110947427
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

1-Phenethyl-1H-benzo[d][1,2,3]triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=N2

Technology Process of 1-Phenethyl-1H-benzo[d][1,2,3]triazole

There total 18 articles about 1-Phenethyl-1H-benzo[d][1,2,3]triazole 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: 99.0%

1-(2-phenyl-2-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)ethyl)-1H-benzo[d][1,2,3]triazole (1449418-23-8) → 1-phenethyl-1H-benzo[d][1,2,3]triazole (63777-68-4)

Guidance literature:

With thiophenol; at 120 ℃;

DOI:10.1021/ol402106x

Reference yield: 72.0%

1-(2-phenyl-1-phenylthioethyl)benzotriazole (111198-12-0) → 1-phenethyl-1H-benzo[d][1,2,3]triazole (63777-68-4) + 1-[(E)-2-phenyl-1-ethenyl]-1H-1,2,3-benzotriazole (111198-10-8)

Guidance literature:

With nickel; In ethanol; for 2h; Ambient temperature;

Reference yield: 64.0%

N-(benzotriazol-1-ylmethyl)-N-methylpyrrolidinium iodide (127236-78-6) + benzylmagnesium chloride (6921-34-2) → 1-methyl-1H-benzo[d][1,2,3]triazole (13351-73-0) + 1-phenethyl-1H-benzo[d][1,2,3]triazole (63777-68-4)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 45 ℃; for 3h;

upstream raw materials:

N-(2-phenylethyl)-2-aminoaniline

1-methyl-1H-benzo[d][1,2,3]triazole

benzyl bromide

benzyl chloride