Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Base Information

Chemical Name:Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
CAS No.:77952-82-0
Molecular Formula:C₁₄H₁₃N₅O₅S
Molecular Weight:363.354
Hs Code.:
DSSTox Substance ID:DTXSID20228623
Wikidata:Q83108650

Synonyms:BRN 5169952;Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-;77952-82-0;((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile;Oprea1_361422;Oprea1_854513;DTXSID20228623;STK747350;AKOS000545362;SR-01000317226;SR-01000317226-1;{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetonitrile;2-((1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile

Suppliers and Price of Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

Chemical Property:

Vapor Pressure:3.12E-15mmHg at 25°C
Boiling Point:618.6°Cat760mmHg
Flash Point:327.9°C
Density:1.49g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:363.06373971
Heavy Atom Count:25
Complexity:544

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC#N)[N+](=O)[O-]

Technology Process of Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-

There total 3 articles about Acetonitrile, ((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- 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:

: 342397-94-8
1-(4-Methoxy-3-nitrobenzyl)-2-methyl-4-nitroimidazole

: 77952-82-0
[3-(4-Methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 75.4 percent / Br₂ / various solvent(s)

2: 68 percent / H₂S, ethanolic NH₃ / dimethylformamide / 0.17 h

3: 71 percent / methanol; H₂O / Heating; 1.) reflux, 6-7 h, 2.) overnight

With hydrogen sulfide; ammonia; bromine; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1007/BF01149151

Reference yield:

: 77952-87-5
1-(4-Methoxy-3-nitrobenzyl)-2-methyl-4-nitro-5-bromoimidazole

: 77952-82-0
[3-(4-Methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / H₂S, ethanolic NH₃ / dimethylformamide / 0.17 h

2: 71 percent / methanol; H₂O / Heating; 1.) reflux, 6-7 h, 2.) overnight

With hydrogen sulfide; ammonia; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1007/BF01149151

Reference yield:

: 6378-19-4
4-methoxy-3-nitrobenzyl chloride

: 77952-82-0
[3-(4-Methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-acetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 73.5 percent / dimethylformamide

2: 75.4 percent / Br₂ / various solvent(s)

3: 68 percent / H₂S, ethanolic NH₃ / dimethylformamide / 0.17 h

4: 71 percent / methanol; H₂O / Heating; 1.) reflux, 6-7 h, 2.) overnight

With hydrogen sulfide; ammonia; bromine; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1007/BF01149151