N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

Base Information

• Chemical Name: N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
• CAS No.: 51449-84-4
• Molecular Formula: C9H11N5
• Molecular Weight: 189.22
• DSSTox Substance ID: DTXSID70357634
• Nikkaji Number: J1.279.665J
• Wikidata: Q82137627
• Mol file: 51449-84-4.mol

Synonyms:51449-84-4;N,N-DIMETHYL-4-(2H-1,2,3,4-TETRAZOL-5-YL)ANILINE;N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline;Oprea1_700615;Oprea1_798368;SCHEMBL8710012;DTXSID70357634;5-(4-dimethylaminophenyl)tetrazole;AKOS022301230;EN300-253436;Z1000614

Chemical Property of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.10144537
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

There total 9 articles about N,N-dimethyl-4-(2H-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%

4-dimethylamino-benzaldehyde (100-10-7) → 5-(4-(N,N-dimethylamino)phenyl)-1H-tetrazole (51449-84-4)

Guidance literature:

With sodium azide; hydroxylamine hydrochloride; In water; at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1039/c6ra19631d

Reference yield: 97.0%

potassium cyanide + 4-(dimethylamino)benzene-boronic acid (28611-39-4) → 5-(4-(N,N-dimethylamino)phenyl)-1H-tetrazole (51449-84-4)

Guidance literature:

With sodium azide; potassium carbonate; In ethanol; water; for 1.5h; Catalytic behavior; Reflux; Inert atmosphere; Green chemistry;

DOI:10.1016/j.mcat.2021.111489

Reference yield: 92.0%

4-[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]-N,N-dimethylaniline → 5-(4-(N,N-dimethylamino)phenyl)-1H-tetrazole (51449-84-4)

Guidance literature:

With 5 mol% Pd/C; ammonium formate; In water; isopropyl alcohol; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0039-1691734

upstream raw materials:

4-cyano-N,N-dimethylaniline

4-dimethylaminobenzaldehyde oxime

4-dimethylamino-benzaldehyde

4-(dimethylamino)benzene-boronic acid

Downstream raw materials:

N,N-dimethyl-4-[4-(4-nitro-phenyl)-5-phenyl-1H-[1,2,4]triazol-3-yl]-aniline

2-{4'-(2-methacryloyloxyethoxy)biphenyl-4-yl}-5-(4-N,N-dimethylaminophenyl)-1,3,4-oxadiazole

2-{4'-(6-methacryloyloxy-1-hexyloxy)biphenyl-4-yl}-5-(4-N,N-dimethylaminophenyl)-1,3,4-oxadiazole

2-{4'-(11-methacryloyloxy-1-undecyloxy)biphenyl-4-yl}-5-(4-N,N-dimethylaminophenyl)-1,3,4-oxadiazole