4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-1,2,3-triazole

Base Information

• Chemical Name: 4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-1,2,3-triazole
• CAS No.: 104503-33-5
• Molecular Formula: C₁₀H₈Cl₃N₃
• Molecular Weight: 276.553
• DSSTox Substance ID: DTXSID601191525

Synonyms:DTXSID601191525;4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-1,2,3-triazole;104503-33-5

Chemical Property of 4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-1,2,3-triazole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 274.978380
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=C(N=N2)CCl)CCl)Cl

Technology Process of 4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-1,2,3-triazole

There total 1 articles about 4,5-Bis(chloromethyl)-1-(4-chlorophenyl)-1H-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: 26.0%

1-azido-4-chlorobenzene (3296-05-7) + 1,4-Dichloro-2-butyne (821-10-3) → 4,5-Bis-chloromethyl-1-(4-chloro-phenyl)-1H-[1,2,3]triazole (104503-33-5)

Guidance literature:

In benzene; for 12h; Heating;

Reference yield: 97.0%

pyridine (110-86-1) + 4,5-Bis-chloromethyl-1-(4-chloro-phenyl)-1H-[1,2,3]triazole (104503-33-5) → C20H18ClN5(2+)*2Cl(1-) (116821-50-2)

Guidance literature:

for 4h; Heating;

Reference yield:

4,5-Bis-chloromethyl-1-(4-chloro-phenyl)-1H-[1,2,3]triazole (104503-33-5) + phenylmethanethiol (100-53-8) → 4,5-Bis(benzylthiomethyl)-1-(4-chlor-phenyl)-1,2,3-triazol (104503-41-5)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) 80percent ethanol, room temperature, 4 h; 2.) 12 h;

upstream raw materials:

1-azido-4-chlorobenzene

1,4-Dichloro-2-butyne

Downstream raw materials:

C₂₀H₁₈ClN₅⁽²⁺⁾*2Cl^(1-)

4,5-Bis(benzylthiomethyl)-1-(4-chlor-phenyl)-1,2,3-triazol

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