2-Phenyl-2h-tetrazole

Base Information

• Chemical Name: 2-Phenyl-2h-tetrazole
• CAS No.: 56476-95-0
• Molecular Formula: C7H6 N4
• Molecular Weight: 146.151
• NSC Number: 141849
• DSSTox Substance ID: DTXSID30301214
• Nikkaji Number: J645.386D
• Wikidata: Q82044889
• Mol file: 56476-95-0.mol

Synonyms:2-phenyl-2h-tetrazole;2-phenyltetrazole;56476-95-0;NSC141849;SCHEMBL2211763;DTXSID30301214;STL503757;AKOS037487907;NSC-141849

Chemical Property of 2-Phenyl-2h-tetrazole

Chemical Property:

• Vapor Pressure: 0.00231mmHg at 25°C
• Boiling Point: 288.7°C at 760 mmHg
• Flash Point: 128.4°C
• Density: 1.29g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.059246208
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=CN=N2

Technology Process of 2-Phenyl-2h-tetrazole

There total 8 articles about 2-Phenyl-2h-tetrazole 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: 87.0%

2-phenyl-2H-tetrazole-5-carboxylic acid (54798-92-4) → 2-phenyl-2H-tetrazole (56476-95-0)

Guidance literature:

at 150 - 170 ℃; for 0.0833333h; under 12 Torr;

Reference yield: 70.0%

C9H6N4O4 → 2-phenyl-2H-tetrazole-5-carboxylic acid (54798-92-4) + 2-(2H-tetrazol-2-yl)benzoic acid (1431473-20-9) + 2-phenyl-2H-tetrazole (56476-95-0)

Guidance literature:

With sulfuric acid; In water; dimethyl sulfoxide; at 124 ℃;

DOI:10.1021/acs.oprd.9b00243

Reference yield: 48.0%

benzenediazonium tetrafluoroborate (369-57-3) + formamidine hydrochloride (6313-33-3) → 2-phenyl-2H-tetrazole (56476-95-0)

Guidance literature:

benzenediazonium tetrafluoroborate; formamidine hydrochloride; With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 1h;

With iodine; potassium iodide; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1021/acs.orglett.5b03068

upstream raw materials:

2-phenyl-2H-tetrazole-5-carboxylic acid

aniline

benzenediazonium tetrafluoroborate

formamidine hydrochloride

Downstream raw materials:

2-(4-nitro-phenyl)-2H-tetrazole

1-Phenylpyrazol-5-carbonsaeure-methylester

2-Anilino-3-cyanpropionsaeure-methylester

methyl 1-phenyl-2-pyrazoline-5-carboxylate