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

Base Information

• Chemical Name: 4-(1H-tetrazol-5-yl)aniline
• CAS No.: 46047-18-1
• Molecular Formula: C7H7N5
• Molecular Weight: 161.166
• Hs Code.: 2933990090
• European Community (EC) Number: 678-875-9
• DSSTox Substance ID: DTXSID20360113
• Nikkaji Number: J2.865.340I
• Wikidata: Q27459834
• Mol file: 46047-18-1.mol

Synonyms:46047-18-1;4-(2H-tetrazol-5-yl)aniline;4-(1H-tetrazol-5-yl)aniline;4-(2H-TETRAZOL-5-YL)-PHENYLAMINE;4-(1H-Tetrazol-5-yl)-phenylamine;4-(2H-1,2,3,4-tetrazol-5-yl)aniline;Benzenamine, 4-(1H-tetrazol-5-yl)-;5-(4-AMINOPHENYL)-1H-TETRAZOLE;4-(1H-1,2,3,4-tetrazol-5-yl)aniline;MFCD01219548;4-(5-Tetrazolyl)aniline;BAS 05295542;4-tetrazol-5-yl-aniline;4-(tetrazol-5-yl)-aniline;SCHEMBL264036;5,4-(amino-phenyl) tetrazole;4-(1h-tetraazol-5-yl)aniline;4-(1H-tetrazol-5-yl) aniline;DTXSID20360113;5-(4-aminophenyl)-2H-tetrazole;KTPONJJKCBOJCQ-UHFFFAOYSA-N;5-(4-amino-phenyl)-1H-tetrazole;BBL013568;STK500282;[4-(1H-tetrazol-5-yl)phenyl]amine;AKOS000104775;AKOS001867992;PB18539;5-(4-AMINO-PHENYL)-2H-TETRAZOL;AM803931;BS-13653;SY035907;4-(1H-Tetrazol-5-yl)aniline, AldrichCPR;BB 0238431;CS-0035674;FT-0677261;EN300-63875;A826976;4-(tetrazolidin-5-yl)aniline;Q27459834;Z336080032

Chemical Property of 4-(1H-tetrazol-5-yl)aniline

Chemical Property:

• Vapor Pressure: 3.19E-07mmHg at 25°C
• Melting Point: 265oC
• Boiling Point: 418.8oC at 760 mmHg
• PKA: 5.49±0.10(Predicted)
• Flash Point: 236.5oC
• PSA: 80.48000
• Density: 1.401g/cm3
• LogP: 1.03010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly 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: 143

Purity/Quality:

98% ^*data from raw suppliers

4-(1H-Tetrazol-5-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NNN=N2)N

Technology Process of 4-(1H-tetrazol-5-yl)aniline

There total 11 articles about 4-(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: 100.0%

5-(4-nitrophenyl)-1H-1,2,3,4-tetrazole (16687-60-8) → 4-(1H-tetrazol-5-yl)aniline (46047-18-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; ethyl acetate; for 16h; under 1551.49 Torr;

Reference yield: 99.0%

4-Aminobenzonitrile (873-74-5) → 4-(1H-tetrazol-5-yl)aniline (46047-18-1)

Guidance literature:

With sodium azide; gold; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c4ra13461c

Reference yield: 92.0%

4-aminobenzaldehyde (556-18-3,28107-09-7) → 4-(1H-tetrazol-5-yl)aniline (46047-18-1)

Guidance literature:

4-aminobenzaldehyde; With hydroxylamine hydrochloride; nitric acid; dimethyl sulfoxide; In water; at 40 ℃; for 0.333333h;

With sodium azide; In water; at 40 ℃; for 3.5h;

DOI:10.1055/s-0039-1690742

upstream raw materials:

5-(4-nitrophenyl)-1H-1,2,3,4-tetrazole

4-Aminobenzonitrile

4-nitrobenzonitrile

N-(4-cyanophenyl)acetamide

Downstream raw materials:

N⁴-(2-chlorophenyl)-N²-[4-(2H-tetrazol-5-yl)phenyl]-5-chloropyrimidine-2,4-diamine hydrochloride

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

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、 Alavi, Seyyedeh Ameneh,Kazemnejadi, Milad,Mahmoudi, Boshra,Nasseri, Mohammad Ali. "A Facile Approach to Catalyst-Free Cyanation and Azidation of a-Organic Compounds and a One-Pot Preparation of 5-Substituted 1 H-Tetrazoles by Using a Dimethyl Sulfoxide-Nitric Acid Combination". supporting information. p. 2290 - 2294. Retrieved 2019/12/11.