2-(4-Nitro-benzyl)-1H-imidazole

Base Information

Chemical Name:2-(4-Nitro-benzyl)-1H-imidazole
CAS No.:783278-00-2
Molecular Formula:C10H9N3O2
Molecular Weight:203.2
Hs Code.:2933290090
DSSTox Substance ID:DTXSID50439962
Nikkaji Number:J2.103.429K
Wikidata:Q82256080
Mol file:783278-00-2.mol

Synonyms:2-(4-NITRO-BENZYL)-1H-IMIDAZOLE;2-(4-nitrobenzyl)-1h-imidazole;4-nitrobenzylimidazole;783278-00-2;SCHEMBL177700;DTXSID50439962;CGXFQHOURRTVKH-UHFFFAOYSA-N;p-(1-imidazolylmethyl)nitrobenzene;4-(1Imidazolylmethyl)-1-nitrobenzene;4-(1-Imidazolylmethyl)-1-nitrobenzene

Suppliers and Price of 2-(4-Nitro-benzyl)-1H-imidazole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(4-NITRO-BENZYL)-1H-IMIDAZOLE 95.00%
5MG
$ 501.24

Total 1 raw suppliers

Chemical Property of 2-(4-Nitro-benzyl)-1H-imidazole

Chemical Property:

PSA：74.50000
LogP:2.43190
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:203.069476538
Heavy Atom Count:15
Complexity:221

Purity/Quality:: 2-(4-NITRO-BENZYL)-1H-IMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CC2=NC=CN2)[N+](=O)[O-]

Technology Process of 2-(4-Nitro-benzyl)-1H-imidazole

There total 4 articles about 2-(4-Nitro-benzyl)-1H-imidazole 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%

: 112030-58-7
2-(4-nitrobenzyl)-4,5-dihydro-1H-imidazole

: 783278-00-2
2-(4-nitrophenyl)methylimidazole

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 20 ℃; for 0.833333h;
DOI:10.1016/j.tet.2004.08.035

Reference yield: 51.0%

: 75584-64-4
ethyl 2-(4-nitrophenyl)acetimidate hydrochloride

: 22483-09-6
2,2-dimethoxyethylamine

: 783278-00-2
2-(4-nitrophenyl)methylimidazole

Guidance literature:: ethyl 2-(4-nitrophenyl)acetimidate hydrochloride; 2,2-dimethoxyethylamine; In ethanol; for 18h; Heating / reflux;

With hydrogenchloride; In ethanol; water; at 60 ℃; for 18h;

With sodium carbonate; In water;

Reference yield:

: 51738-10-4
2,2-dibromo-1-(4-nitrophenyl)ethene

: 783278-00-2
2-(4-nitrophenyl)methylimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / 0.5 h / 20 °C

2: 75 percent / (COCl)2; DMSO; Et₃N / CH₂Cl₂ / 0.83 h / -78 - 20 °C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; 2: Swern oxidation;
DOI:10.1016/j.tet.2004.08.035