1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole
• CAS No.: 89429-62-9
• Molecular Formula: C11H10ClN3O
• Molecular Weight: 235.673
• ChEMBL ID: CHEMBL2063497
• DSSTox Substance ID: DTXSID90472373
• Nikkaji Number: J2.350.644K
• Mol file: 89429-62-9.mol

Synonyms:1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole;89429-62-9;1-{[2-(4-Chlorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole;SCHEMBL9567574;CHEMBL2063497;DTXSID90472373

Chemical Property of 1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.0512396
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(O1)(CN2C=NC=N2)C3=CC=C(C=C3)Cl

Technology Process of 1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole

There total 7 articles about 1-((2-(4-chlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-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: 95.0%

trimethylsulfoxonium iodide (1774-47-6) + 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-19-4) → 1-[2-(4-chlorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole (89429-62-9)

Guidance literature:

With sodium hydroxide; In toluene; at 80 ℃; for 0.833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.03.199

Reference yield: 60.0%

(E)-3-(4-chlorostyryl)-1H-pyrrole → 1-[3-[2-(4-chlorophenyl)-trans-ethenyl]pyrrol-1-yl]-2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol + 1-[2-(4-chlorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole (89429-62-9)

Guidance literature:

Reference yield: 42.0%

trimethylsulphonium iodide (2181-42-2) + 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-19-4) → 1-[2-(4-chlorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole (89429-62-9)

Guidance literature:

With sodium hydroxide; In toluene; at 60 ℃;

DOI:10.1016/j.bmcl.2012.07.064

upstream raw materials:

dimethylsulfoxonium methylide

1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

trimethylsulfoxonium iodide

p-chlorophenacyl chloride

Downstream raw materials:

C₂₈H₂₇Cl₂FN₆O₄