2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

Base Information

• Chemical Name: 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
• CAS No.: 13213-83-7
• Molecular Formula: C₁₀H₁₀N₄O
• Molecular Weight: 202.216
• DSSTox Substance ID: DTXSID801277626

Synonyms:13213-83-7;DTXSID801277626;AKOS003852887;N-4H-1,2,4-Triazol-4-ylbenzeneacetamide

Chemical Property of 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.08546096
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NN2C=NN=C2

Technology Process of 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

There total 2 articles about 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide 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: 60.0%

4-amino-1,2,4-triazole (584-13-4) + phenylacetyl chloride (103-80-0) → 4-phenylacetylamino-4H-1,2,4-triazole (13213-83-7)

Guidance literature:

With pyridine; In 1,4-dioxane; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(92)90003-J

Reference yield:

→ 4-phenylacetylamino-4H-1,2,4-triazole (13213-83-7)

Guidance literature:

Triazol (1), entspr. Aethylester;

Reference yield: 74.0%

bromoacetic acid tert-butyl ester (5292-43-3) + 4-phenylacetylamino-4H-1,2,4-triazole (13213-83-7) → 1-tert-butoxycarbonylmethyl-4-phenylacetylimino-4H-1,2,4-triazolium inner salt (148589-30-4)

Guidance literature:

In nitromethane; at 80 ℃; for 3h;

DOI:10.1111/j.2042-7158.1993.tb05577.x

upstream raw materials:

4-amino-1,2,4-triazole

phenylacetyl chloride

Downstream raw materials:

(4-phenylacetylamino-4H-1,2,4-triazolio-1)acetate

1-Carboxymethyl-4-phenylacetylamino-4H-[1,2,4]triazol-1-ium; bromide

1-tert-butoxycarbonylmethyl-4-phenylacetylimino-4H-1,2,4-triazolium inner salt

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