2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

Base Information

Chemical Name:2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
CAS No.:112030-58-7
Molecular Formula:C10H11N3O2
Molecular Weight:205.216
Hs Code.:
ChEMBL ID:CHEMBL71751
DSSTox Substance ID:DTXSID40514419
Nikkaji Number:J988.360F
Wikidata:Q82374738

Synonyms:CHEMBL71751;112030-58-7;2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;DTXSID40514419;BDBM50064811;2-(4-Nitro-benzyl)-4,5-dihydro-1H-imidazole;InChI=1/C10H11N3O2/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10/h1-4H,5-7H2,(H,11,12

Suppliers and Price of 2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

Supply Marketing:

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

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Chemical Property of 2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:205.085126602
Heavy Atom Count:15
Complexity:264

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN=C(N1)CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-[(4-Nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

There total 8 articles about 2-[(4-Nitrophenyl)methyl]-4,5-dihydro-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: 99.0%

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

: 107-15-3,85404-18-8
ethylenediamine

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

Guidance literature:: at 20 ℃; for 0.5h;
DOI:10.1016/S0040-4020(02)01324-8

Reference yield: 87.0%

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

: 107-15-3,85404-18-8
ethylenediamine

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

Guidance literature:: In ethanol; for 5h; Heating;
DOI:10.1055/s-1987-27942

Reference yield:

: 555-21-5,34512-13-5,174848-08-9
4-Nitrophenylacetonitrile

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

Guidance literature:: Multi-step reaction with 2 steps

1: HCl(gas) / diethyl ether / 0 - 20 °C

2: ethanol / 1.) 0 deg C, 1 h, 2.) reflux, 20 min

With hydrogenchloride; In diethyl ether; ethanol;
DOI:10.1021/jm970513p