1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-

Base Information

Chemical Name:1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-
CAS No.:104575-42-0
Molecular Formula:C11H10 F N3 O2
Molecular Weight:235.2144
Hs Code.:
DSSTox Substance ID:DTXSID10146584
Wikidata:Q83011428

Synonyms:104575-42-0;1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-;2-(4-Fluorophenyl-4-nitro-5,6-dimethyl-1H-imidazole;DTXSID10146584

Suppliers and Price of 1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-

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
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price

Total 1 raw suppliers

Chemical Property of 1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-

Chemical Property:

Vapor Pressure:1.83E-06mmHg at 25°C
Boiling Point:395.5°C at 760 mmHg
Flash Point:193°C
Density:1.34g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:235.07570473
Heavy Atom Count:17
Complexity:289

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(N=C(N1C)C2=CC=C(C=C2)F)[N+](=O)[O-]

Technology Process of 1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro-

There total 4 articles about 1H-Imidazole, 5,6-dimethyl-2-(4-fluorophenyl)-4-nitro- 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: 49.0%

: 104575-41-9
4-methyl-5-nitro-2-(4-fluorophenyl)imidazole

: 74-88-4
methyl iodide

: 104575-42-0
1,5-dimethyl-2-(4-fluorophenyl)-4-nitroimidazole

Guidance literature:: With potassium tert-butylate; In ethanol; at 100 ℃; for 6h;
DOI:10.1021/jm00384a025

Reference yield:

: 1194-02-1,143234-87-1
4-fluorobenzonitrile

: 104575-42-0
1,5-dimethyl-2-(4-fluorophenyl)-4-nitroimidazole

Guidance literature:: Multi-step reaction with 4 steps

1: 67 percent / HCl(g) / 144 h / 20 °C

2: 1.) glacial acetic acid, 2.) 5 N HCl / 1.) 100 deg C, 2 h, 2.) 100 deg C, 30 min

3: 52 percent / acetic anhydride, nitric acid / 0.25 h / 100 °C

4: 49 percent / t-BuOK / ethanol / 6 h / 100 °C

With hydrogenchloride; potassium tert-butylate; nitric acid; acetic anhydride; acetic acid; In ethanol;
DOI:10.1021/jm00384a025

Reference yield:

: 52162-47-7
ethyl 4-fluorobenzimidate

: 104575-42-0
1,5-dimethyl-2-(4-fluorophenyl)-4-nitroimidazole

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) glacial acetic acid, 2.) 5 N HCl / 1.) 100 deg C, 2 h, 2.) 100 deg C, 30 min

2: 52 percent / acetic anhydride, nitric acid / 0.25 h / 100 °C

3: 49 percent / t-BuOK / ethanol / 6 h / 100 °C

With hydrogenchloride; potassium tert-butylate; nitric acid; acetic anhydride; acetic acid; In ethanol;
DOI:10.1021/jm00384a025