N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

Base Information

• Chemical Name: N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
• CAS No.: 73096-38-5
• Molecular Formula: C9H9N5O
• Molecular Weight: 203.203
• DSSTox Substance ID: DTXSID80358374
• Nikkaji Number: J2.813.403G
• Wikidata: Q82138890
• ChEMBL ID: CHEMBL1883612
• Mol file: 73096-38-5.mol

Synonyms:73096-38-5;N-[4-(2H-tetrazol-5-yl)phenyl]acetamide;N-[4-(1H-tetrazol-5-yl)phenyl]acetamide;N-(4-(2H-Tetrazol-5-yl)phenyl)acetamide;N-[4-(2H-Tetrazol-5-yl)-phenyl]-acetamide;Oprea1_375554;Oprea1_866535;MLS000067929;CHEMBL1883612;SCHEMBL12892198;DTXSID80358374;HMS1689O19;HMS2744E09;STL171460;AKOS000521574;AKOS003809023;SMR000122512

Chemical Property of N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

Chemical Property:

• PSA: 87.05000
• LogP: 1.47460
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.08070993
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=NNN=N2

Technology Process of N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

There total 3 articles about N-[4-(2H-tetrazol-5-yl)phenyl]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: 90.0%

N-(4-cyanophenyl)acetamide (35704-19-9) → N-(4-(1H-tetrazol-5-yl)phenyl)acetamide (73096-38-5)

Guidance literature:

N-(4-cyanophenyl)acetamide; With sodium azide; In N,N-dimethyl-formamide; at 90 ℃; for 0.5h; Microwave irradiation;

With hydrogenchloride; at 20 ℃;

DOI:10.1039/c5ra11426h

Reference yield:

4-Aminobenzonitrile (873-74-5) → N-(4-(1H-tetrazol-5-yl)phenyl)acetamide (73096-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 0.5 h / Reflux

2.1: sodium azide; ammonium chloride / N,N-dimethyl-formamide / 12 h / Reflux

2.2: pH 1 / Cooling with ice

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide;

DOI:10.3906/kim-1412-46

Reference yield:

→ N-(4-(1H-tetrazol-5-yl)phenyl)acetamide (73096-38-5)

Guidance literature:

upstream raw materials:

N-(4-cyanophenyl)acetamide

4-Aminobenzonitrile

Downstream raw materials:

4-(1H-tetrazol-5-yl)aniline

4-(1H-tetrazol-5-yl)benzenaminium chloride