Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine

Base Information

• Chemical Name: Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine
• CAS No.: 88104-38-5
• Molecular Formula: C14H13N5
• Molecular Weight: 251.291
• DSSTox Substance ID: DTXSID80360174
• Wikidata: Q82141778
• ChEMBL ID: CHEMBL1312476

Synonyms:Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine;Oprea1_266122;88104-38-5;MLS000121867;CHEMBL1312476;DTXSID80360174;HMS1684G17;HMS2382F08;AKOS000676488;SMR000119280;SR-01000318976;SR-01000318976-1

Chemical Property of Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 251.11709544
• Heavy Atom Count: 19
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NN=NN2C3=CC=CC=C3

Technology Process of Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine

There total 8 articles about Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine 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: 86.0%

1-benzyl-3-phenylthiourea (726-25-0) → N-benzyl-1-phenyl-1H-tetrazol-5-amine (88104-38-5)

Guidance literature:

1-benzyl-3-phenylthiourea; With triethylamine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide;

With sodium azide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1021/jo2025509

Reference yield: 86.0%

C14H16N4 (88104-37-4) → N-benzyl-1-phenyl-1H-tetrazol-5-amine (88104-38-5)

Guidance literature:

With hydrogenchloride; potassium carbonate; sodium nitrite; In water; for 4.5h;

DOI:10.1016/S0040-4020(01)92153-2

Reference yield: 70.0%

N-benzylcyanamide (622-77-5) + Phenyl azide (622-37-7) → N-benzyl-1-phenyl-1H-tetrazol-5-amine (88104-38-5)

Guidance literature:

With copper(l) iodide; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 3h;

DOI:10.1080/00397911.2017.1402349

upstream raw materials:

C₁₄H₁₆N₄

Benzyl isothiocyanate

aniline

1-benzyl-3-phenylthiourea

Downstream raw materials:

1-benzyl-N-phenyl-1H-tetrazol-5-amine

1-benzyl-N-(4-nitrophenyl)-1H-tetrazol-5-amine

5-(2-nitrophenyl)amino-1-benzyl tetrazole

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