1-Tert-butyl-5-methyl-2,4-dinitrobenzene

Base Information

Chemical Name:1-Tert-butyl-5-methyl-2,4-dinitrobenzene
CAS No.:99758-45-9
Molecular Formula:C11H14N2O4
Molecular Weight:238.243
Hs Code.:
DSSTox Substance ID:DTXSID50693648
Nikkaji Number:J449.609D
Wikidata:Q82622660

Synonyms:1-tert-butyl-5-methyl-2,4-dinitrobenzene;99758-45-9;SCHEMBL1465151;DTXSID50693648;NESMIGSDQPNPEV-UHFFFAOYSA-N;1-tert-Butyl-3-methyl-4,6-dinitrobenzene;FT-0752431;AE-562/43460365

Suppliers and Price of 1-Tert-butyl-5-methyl-2,4-dinitrobenzene

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1-Tert-butyl-5-methyl-2,4-dinitrobenzene

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:238.09535693
Heavy Atom Count:17
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C

Technology Process of 1-Tert-butyl-5-methyl-2,4-dinitrobenzene

There total 5 articles about 1-Tert-butyl-5-methyl-2,4-dinitrobenzene 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:

: 1075-38-3
m-t-butyltoluene

: 107342-39-2
1-(tert-butyl)-3-methyl-2,4-dinitrobenzene

: 99758-45-9
1-(tert-butyl)-5-methyl-2,4-dinitrobenzene

Guidance literature:: With sulfuric acid; nitric acid; In water; at 0 - 30 ℃; for 0.5h;

Reference yield:

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 107342-39-2
1-(tert-butyl)-3-methyl-2,4-dinitrobenzene

: 99758-45-9
1-(tert-butyl)-5-methyl-2,4-dinitrobenzene

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.25 h / 0 °C

1.2: 0.5 h / 0 - 25 °C

2.1: ammonium hydroxide; lithium / diethyl ether / 0.25 h / -78 °C / Inert atmosphere

3.1: sulfuric acid; nitric acid / 0.5 h / 0 - 25 °C

With ammonium hydroxide; sulfuric acid; nitric acid; lithium; sodium hydride; In tetrahydrofuran; diethyl ether; mineral oil;
DOI:10.1021/jm5012808

Reference yield:

: 952665-30-4
phosphoric acid 2-tert-butyl-4-methylphenyl ester diethyl ester

: 107342-39-2
1-(tert-butyl)-3-methyl-2,4-dinitrobenzene

: 99758-45-9
1-(tert-butyl)-5-methyl-2,4-dinitrobenzene

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide; lithium / diethyl ether / 0.25 h / -78 °C / Inert atmosphere

2: sulfuric acid; nitric acid / 0.5 h / 0 - 25 °C

With ammonium hydroxide; sulfuric acid; nitric acid; lithium; In diethyl ether;
DOI:10.1021/jm5012808