1-benzyl-1H-tetrazole

Base Information

• Chemical Name: 1-benzyl-1H-tetrazole
• CAS No.: 6926-50-7
• Molecular Formula: C8H8N4
• Molecular Weight: 160.178
• European Community (EC) Number: 868-485-9
• DSSTox Substance ID: DTXSID00396894
• Nikkaji Number: J487.977E
• Wikidata: Q82197844
• Mol file: 6926-50-7.mol

Synonyms:1-benzyl-1H-tetrazole;6926-50-7;1-benzyl-1H-1,2,3,4-tetrazole;1-benzyltetrazole;SCHEMBL2532477;DTXSID00396894;AQBHAXPSOCMLGV-UHFFFAOYSA-N;1-H-Tetrazole, 1-(Phenylmethyl);MFCD00463632;STK386522;AKOS005431088;AS-37155;CS-0234070;EN300-138500;Z1201620216

Chemical Property of 1-benzyl-1H-tetrazole

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 160.074896272
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NN=N2

Technology Process of 1-benzyl-1H-tetrazole

There total 15 articles about 1-benzyl-1H-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: 97.0%

Benzyl isocyanide (88333-03-3,10340-91-7) → 1-benzyl-1H-tetrazole (6926-50-7)

Guidance literature:

With trimethylsilylazide; In water; at 20 ℃; for 1h; Sonication;

DOI:10.1039/C8NJ02312C

Reference yield: 91.0%

orthoformic acid triethyl ester (122-51-0) + benzylamine (100-46-9) → 1-benzyl-1H-tetrazole (6926-50-7)

Guidance literature:

With sodium azide; bis(trifluoromethanesulfonyl)amide; In glycerol; at 20 ℃; for 4h; Green chemistry;

DOI:10.3184/174751916X14721249985304

Reference yield: 89.0%

phenylacetaldehyde (122-78-1) → 1-benzyl-1H-tetrazole (6926-50-7)

Guidance literature:

With sodium azide; In methanol; at 20 ℃; for 5h; regioselective reaction; Irradiation;

DOI:10.1039/c8gc01321g

upstream raw materials:

1H-tetrazole

benzyl chloride

orthoformic acid triethyl ester

benzylamine

Downstream raw materials:

1-(1-benzyl-1H-tetrazol-5-yl)(phenyl)methanol

5-hydroxy-5-[1-(benzyl)-1H-tetrazol-5-yl]-10,11-dihydro-N2,N2,N8,N8-tetramethyl-5H-dibenzo[α,δ]cycloheptene-2,8-dicarboxamide

9-(1-benzyl-1H-tetrazol-5-yl)-9H-fluoren-9-ol

(1-benzyl-1H-tetrazol-5-yl)diphenylmethanol