1-[3-(Tetrazol-1-yl)phenyl]tetrazole

Base Information

• Chemical Name: 1-[3-(Tetrazol-1-yl)phenyl]tetrazole
• CAS No.: 125620-14-6
• Molecular Formula: C₈H₆N₈
• Molecular Weight: 214.189
• DSSTox Substance ID: DTXSID601287019
• Mol file: 125620-14-6.mol

Synonyms:1-[3-(tetrazol-1-yl)phenyl]tetrazole;1-[3-(1H-tetraazol-1-yl)phenyl]-1H-tetraazole;125620-14-6;SCHEMBL21152328;1,3-bis(tetrazol-1-yl)benzene;DTXSID601287019;STK722221;AKOS000540938;1,1'-(1,3-Phenylene)bis[1H-tetrazole];1,1'-benzene-1,3-diylbis(1H-tetrazole);AG-670/31513024

Chemical Property of 1-[3-(Tetrazol-1-yl)phenyl]tetrazole

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 214.07154223
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=NN=N2)N3C=NN=N3

Technology Process of 1-[3-(Tetrazol-1-yl)phenyl]tetrazole

There total 6 articles about 1-[3-(Tetrazol-1-yl)phenyl]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: 94.0%

m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) + orthoformic acid triethyl ester (122-51-0) → 1,3-phenylene-bis-(1H)-tetrazole (125620-14-6)

Guidance literature:

With sodium azide; In acetic acid; for 3h; Heating;

DOI:10.1007/BF00476984

Reference yield:

((C5H5)Fe(C5H4)CH(CH3))CN4HC6H4CN4H(CH(CH3)(C5H4)Fe(C5H5))(2+)*2BF4(1-)=[(C5H5)Fe(C5H4)C12H14N8(C5H4)Fe(C5H5)](BF4)2 → 1-ferrocenylethanol (1277-49-2) + 1,3-phenylene-bis-(1H)-tetrazole (125620-14-6)

Guidance literature:

With sodium hydroxide; In water; refluxing (5-10 min), cooling to 5 to 7°C; ppt. filtration off, washing (hot pentane), Fe-compd. obtaining from pentane extracts by drying, tetrazole remaining in the solid residue;

Reference yield:

3-(tetrazol-1-yl)phenylamine (14213-12-8) + orthoformic acid triethyl ester (122-51-0) → 1,3-phenylene-bis-(1H)-tetrazole (125620-14-6)

Guidance literature:

With sodium azide; In acetic acid; at 95 - 100 ℃; for 3.5h;

DOI:10.1007/BF00476984

upstream raw materials:

m-phenylenediamine

orthoformic acid triethyl ester

3-(tetrazol-1-yl)phenylamine

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

Downstream raw materials:

3-Tetrazol-1-yl-phenyl-cyanamide

N,N'-m-phenylene-di-carbamonitrile

{1-[3-(5-Dimethylaminomethyl-tetrazol-1-yl)-phenyl]-1H-tetrazol-5-ylmethyl}-dimethyl-amine