3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

Base Information

Chemical Name:3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde
CAS No.:85103-01-1
Molecular Formula:C11H9N3O3
Molecular Weight:231.20700
Hs Code.:2933290090
DSSTox Substance ID:DTXSID30574688
Wikidata:Q82463828
Mol file:85103-01-1.mol

Synonyms:85103-01-1;3-(3-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE;1-(3-Nitrobenzyl)-1H-imidazole-5-carbaldehyde;3-(3-nitrobenzyl)-3h-imidazole-4-carbaldehyde;DTXSID30574688;1-[(3-Nitrophenyl)methyl]-1H-imidazole-5-carbaldehyde

Suppliers and Price of 3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

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

Labseeker
3-(3-nitro-benzyl)-3H-imidazole-4-carbaldehyde 95
25g
$ 3588.00

Labseeker
3-(3-nitro-benzyl)-3H-imidazole-4-carbaldehyde 95
10g
$ 2933.00

American Custom Chemicals Corporation
3-(3-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE 95.00%
5MG
$ 501.00

Total 4 raw suppliers

Chemical Property of 3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

Chemical Property:

PSA：80.71000
LogP:2.17530
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:231.06439116
Heavy Atom Count:17
Complexity:292

Purity/Quality:

98% ^*data from raw suppliers

3-(3-nitro-benzyl)-3H-imidazole-4-carbaldehyde 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC=C2C=O

Technology Process of 3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

There total 3 articles about 3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde 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: 14.0%

: 85102-91-6
N¹-(3-Nitrobenzyl)-5-hydroxymethylimidazole

: 85103-01-1
3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

Guidance literature:: With manganese(IV) oxide; In 1,4-dioxane; for 18h; Heating;
DOI:10.1055/s-1983-30217

Reference yield:

: 3958-57-4
1-bromomethyl-3-nitrobenzene

: 33016-47-6
(1-tritylimidazol-4-yl)carboxaldehyde

: 85103-01-1
3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

Guidance literature:: In acetonitrile; at 20 - 60 ℃; Inert atmosphere;
DOI:10.1021/jm900030h

Reference yield:

: 619-23-8
3-Nitrobenzyl chloride

: 85103-01-1
3-(3-Nitro-benzyl)-3H-imidazole-4-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 20 percent / Na₂CO₃ / dimethylformamide / 12 h / 100 °C

2: 14 percent / activated MnO₂ / dioxane / 18 h / Heating

With manganese(IV) oxide; sodium carbonate; In 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1055/s-1983-30217