5-(3-Aminophenyl)tetrazole

Base Information

• Chemical Name: 5-(3-Aminophenyl)tetrazole
• CAS No.: 73732-51-1
• Molecular Formula: C7H7N5
• Molecular Weight: 161.166
• Hs Code.: 2933990090
• European Community (EC) Number: 675-390-4
• NSC Number: 338110
• DSSTox Substance ID: DTXSID50224057
• Nikkaji Number: J2.672.895I
• Wikidata: Q72508083
• Mol file: 73732-51-1.mol

Synonyms:5-(3-Aminophenyl)tetrazole;73732-51-1;3-(1H-Tetrazol-5-yl)aniline;3-(2H-tetrazol-5-yl)aniline;5-(m-Aminophenyl)tetrazole;Aniline, 3-(1H-tetrazol-5-yl)-;Tetrazole, 5-(m-aminophenyl)-;3-(1H-1,2,3,4-tetrazol-5-yl)aniline;1H-Tetrazole, 5-(3-aminophenyl)-;Benzenamine, 3-(1H-tetrazol-5-yl)-;3-aminophenyltetrazole;3-(tetrazol-5-yl)aniline;5-(3-amino-phenyl)tetrazole;5-(3-aminophenyl)-tetrazole;SCHEMBL266617;5-(3-amino-phenyl)-tetrazole;3-(1h-tetrazole-5-yl)aniline;DTXSID50224057;5-(3-Aminophenyl)-1H-tetrazole;3-(1H-tetrazol-5-yl)-phenylamine;3-Amino-(1H-tetrazol-5-yl)benzene;MFCD01219561;NSC338110;[3-(1H-tetrazol-5-yl)phenyl]amine;3-Amino-(1H-tetrazole-5-yl)benzene;AKOS000112254;AKOS005202391;AB08387;NSC 338110;NSC-338110;Phenylamine, 3-(2H-tetrazol-5-yl)-;5-(3-Aminophenyl)tetrazole, AldrichCPR;LS-19995;TS-00106;3-(2H-1,2,3,4-tetrazol-5-yl)aniline;CS-0096231;FT-0729020;EN300-16630;A837913;J-510439;Z56347234

Chemical Property of 5-(3-Aminophenyl)tetrazole

Chemical Property:

• Vapor Pressure: 5.88E-08mmHg at 25°C
• Melting Point: 202-205 °C
• Refractive Index: 1.686
• Boiling Point: 440.5 °C at 760 mmHg
• PKA: 4.84±0.10(Predicted)
• Flash Point: 250.4 °C
• PSA: 80.48000
• Density: 1.401 g/cm³
• LogP: 1.03010
• Water Solubility.: Soluble in water.
• 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:

99% ^*data from raw suppliers

3-(1H-Tetrazol-5-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(3-Aminophenyl)tetrazole

There total 9 articles about 5-(3-Aminophenyl)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: 95.0%

m-cyanoaniline (2237-30-1) → 5-(3-aminophenyl)-1H-tetrazole (73732-51-1)

Guidance literature:

With hydrogenchloride; sodium azide; water; triethylamine hydrochloride; In toluene; at 95 - 101 ℃; for 28h;

DOI:10.1055/s-1998-2081

Reference yield:

5-(3-nitrophenyl)-1H-tetrazole (21871-44-3) → 5-(3-aminophenyl)-1H-tetrazole (73732-51-1)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1021/jo01090a003

Reference yield:

2-Methyl-5-(3-nitrophenyl)-2H-tetrazole (69790-73-4) → 5-(3-aminophenyl)-1H-tetrazole (73732-51-1)

Guidance literature:

palladium/carbon catalyst; In ethanol;

upstream raw materials:

5-(3-nitrophenyl)-1H-tetrazole

m-cyanoaniline

3-nitrobenzonitrile

2-Methyl-5-(3-nitrophenyl)-2H-tetrazole

Downstream raw materials:

N-(3-(1H-tetrazol-5-yl)phenyl)pyrrole

N-(3-(1H-tetrazol-5-yl)phenyl)-2,5-dimethylpyrrole

Refernces

• 1、 Padmaja,Chanda, Kaushik. "A robust and recyclable ionic liquid-supported copper(II) catalyst for the synthesis of 5-substituted-1H-tetrazoles using microwave irradiation". . p. 1307 - 1317. Retrieved 2019/11/14.
• 2、 Padmaja,Meena,Maiti, Barnali,Chanda, Kaushik. "[Cu(phen)(PPh3)2]NO3-catalyzed microwave-assisted green synthesis of 5-substituted 1H-tetrazoles". . p. 7365 - 7374. Retrieved 2017/09/06.