2-(1h-Tetrazol-5-yl)aniline

Base Information

• Chemical Name: 2-(1h-Tetrazol-5-yl)aniline
• CAS No.: 18216-38-1
• Molecular Formula: C7H7 N5
• Molecular Weight: 161.166
• European Community (EC) Number: 954-289-1
• NSC Number: 127214
• DSSTox Substance ID: DTXSID10298976
• Nikkaji Number: J2.809.189C
• Wikidata: Q82041117
• ChEMBL ID: CHEMBL4869550
• Mol file: 18216-38-1.mol

Synonyms:2-(1h-tetrazol-5-yl)aniline;18216-38-1;2-(2H-tetrazol-5-yl)aniline;5-(2-aminophenyl)-1h-tetrazole;2-(5-Tetrazolyl)aniline;Benzenamine, 2-(2H-tetrazol-5-yl)-;Benzenamine, 2-(1H-tetrazol-5-yl)-;CHEMBL4869550;[2-(1H-tetrazol-5-yl)phenyl]amine hydrochloride;5-(2-aminophenyl)tetrazole;NSC127214;2-(1H-1,2,3,4-tetrazol-5-yl)aniline;2-(tetrazol-5-yl)aniline;Oprea1_429308;5-(2'-aminophenyl)tetrazole;SCHEMBL3277728;DTXSID10298976;GUCGQKSPWMDAEX-UHFFFAOYSA-N;5-(2-Aminophenyl)-1-H-tetrazole;BBL009854;BDBM50575461;MFCD00188730;STK709541;[2-(1H-tetrazol-5-yl)phenyl]amine;AKOS000112258;AKOS005522715;NSC-127214;AS-31696;SY012438;BB 0216541;FT-0678439;2-(1H-Tetrazol-5-yl)-phenylamine, AldrichCPR;EN300-233746;2-(2H-1,2,3,4-TETRAZOL-5-YL)ANILINE;A880925;Z609890064

Chemical Property of 2-(1h-Tetrazol-5-yl)aniline

Chemical Property:

• Vapor Pressure: 6.01E-07mmHg at 25°C
• Boiling Point: 410.5°Cat760mmHg
• Flash Point: 231.2°C
• PSA: 80.48000
• Density: 1.401g/cm³
• LogP: 1.03010
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.07014524
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-(1H-Tetrazol-5-yl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(1h-Tetrazol-5-yl)aniline

There total 4 articles about 2-(1h-Tetrazol-5-yl)aniline 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: 98.0%

anthranilic acid nitrile (1885-29-6) → 5-(2-aminophenyl)tetrazole (18216-38-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 4h;

DOI:10.14233/ajchem.2017.20337

Reference yield: 96.0%

→ 5-(2-aminophenyl)tetrazole (18216-38-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

Reference yield:

4-hydrazinoquinazoline (36075-44-2) → 5-(2-aminophenyl)tetrazole (18216-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite

2: water; hydrogenchloride

With hydrogenchloride; water; sodium nitrite;

DOI:10.17344/acsi.2016.2464

upstream raw materials:

anthranilic acid nitrile

4-hydrazinoquinazoline

tetrazolo<1,5-c>quinazoline

Downstream raw materials:

4-(2-Butyl-4-chloro-5-methoxymethyl-imidazol-1-ylmethyl)-N-[2-(1H-tetrazol-5-yl)-phenyl]-benzamide

5-(2'-Diazoniaphenyl)tetrazole

Refernces

• 1、 Aali, Elaheh,Gholizadeh, Mostafa,Noroozi-Shad, Nazanin. "1-Disulfo-[2,2-bipyridine]-1,1-diium chloride ionic liquid as an efficient catalyst for the green synthesis of 5-substituted 1H-tetrazoles". . . Retrieved 2021/08/30.
• 2、 Sudhakar,Purna Chandra Rao,Prem Kumar,Suresh,Ravi. "Syntheses of 5-substituted 1H-tetrazoles catalyzed by reusable Cu(II)-NaY zeolite from nitriles". . p. 864 - 866. Retrieved 2017/02/10.