1-(4-nitrobenzyl)-1H-tetrazole

Base Information

Chemical Name:1-(4-nitrobenzyl)-1H-tetrazole
CAS No.:144035-24-5
Molecular Formula:C8H7N5O2
Molecular Weight:205.176
Hs Code.:
DSSTox Substance ID:DTXSID901282175
Mol file:144035-24-5.mol

Synonyms:144035-24-5;SCHEMBL4831318;1-(4-nitrobenzyl)-1H-tetrazole;PSPICZXYMYWPJA-UHFFFAOYSA-N;DTXSID901282175;1-[(4-Nitrophenyl)methyl]-1H-tetrazole

Suppliers and Price of 1-(4-nitrobenzyl)-1H-tetrazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-(4-nitrobenzyl)-1H-tetrazole

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:205.05997448
Heavy Atom Count:15
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CN2C=NN=N2)[N+](=O)[O-]

Technology Process of 1-(4-nitrobenzyl)-1H-tetrazole

There total 1 articles about 1-(4-nitrobenzyl)-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: 75.0%

: 288-94-8
1H-tetrazole

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 144035-43-8
1-(tetrazol-2-ylmethyl)-4-nitrobenzene

: 144035-24-5
1-(tetrazol-1-ylmethyl)-4-nitrobenzene

Guidance literature:: With triethylamine; In acetonitrile; for 1h; Heating;
DOI:10.1021/jm00010a025

Reference yield:

: 144035-24-5
1-(tetrazol-1-ylmethyl)-4-nitrobenzene

: 4-Tetrazol-1-ylmethyl-phenylamine; hydrochloride

Guidance literature:: With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; for 0.2h; under 2068.6 Torr;
DOI:10.1021/jm00010a025

Reference yield:

: 144035-24-5
1-(tetrazol-1-ylmethyl)-4-nitrobenzene

: 1025813-87-9
(4-Tetrazol-1-ylmethyl-phenyl)-hydrazine

Guidance literature:: Multi-step reaction with 2 steps

1: 2N aq. HCl, H₂ / 10percent Pd/C / ethanol; ethyl acetate / 0.2 h / 2068.6 Torr

2: 1.) aq. NaNO₂, conc. aq. HCl, 2.) SnCl₂*2H₂O, conc. aq. HCl / 1.) 0 deg C, 0.1 h, 2.) from -5 deg C to RT

With hydrogenchloride; hydrogen; tin(ll) chloride; sodium nitrite; palladium on activated charcoal; In ethanol; ethyl acetate;
DOI:10.1021/jm00010a025