5-Phenyl-1H-1,2,3-triazole-1-acetic acid

Base Information

• Chemical Name: 5-Phenyl-1H-1,2,3-triazole-1-acetic acid
• CAS No.: 51720-21-9
• Molecular Formula: C10H9N3O2
• Molecular Weight: 203.2
• DSSTox Substance ID: DTXSID101274576
• Nikkaji Number: J1.732.077G

Synonyms:5-Phenyl-1H-1,2,3-triazole-1-acetic acid;51720-21-9;DTXSID101274576

Chemical Property of 5-Phenyl-1H-1,2,3-triazole-1-acetic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=NN2CC(=O)O

Technology Process of 5-Phenyl-1H-1,2,3-triazole-1-acetic acid

There total 5 articles about 5-Phenyl-1H-1,2,3-triazole-1-acetic acid 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: 89.0%

1-<(carboethoxy)-methyl>-5-phenyl-1H-1,2,3-triazole (51720-16-2) → 1-carboxymethyl-5-phenyl-1H-1,2,3-triazole (51720-21-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; 1.) H₂O, reflux, 45 min; 2.) H₂O, RT;

Reference yield: 11.0%

bromoacetic acid (79-08-3) + phenylacetylene (536-74-3) → 1-carboxymethyl-5-phenyl-1H-1,2,3-triazole (51720-21-9) + 2-(4-phenyl-1H-1,2, 3-triazol-1-yl) acetic acid (51720-20-8)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(02)00742-6

Reference yield:

C11H11N3O2 → 1-carboxymethyl-5-phenyl-1H-1,2,3-triazole (51720-21-9)

Guidance literature:

With sodium hydroxide; In methanol; water; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2021.113241

upstream raw materials:

1-<(carboethoxy)-methyl>-5-phenyl-1H-1,2,3-triazole

bromoacetic acid

phenylacetylene

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