2-tert-Butyl-4,6-dinitroanisole

Base Information

• Chemical Name: 2-tert-Butyl-4,6-dinitroanisole
• CAS No.: 6099-80-5
• Molecular Formula: C11H14 N2 O5
• Molecular Weight: 254.243
• Hs Code.: 2909309090
• European Community (EC) Number: 228-051-6
• DSSTox Substance ID: DTXSID90976462
• Nikkaji Number: J227.296B
• Wikidata: Q82961365
• Mol file: 6099-80-5.mol

Synonyms:6099-80-5;2-tert-Butyl-4,6-dinitroanisole;1-tert-butyl-2-methoxy-3,5-dinitrobenzene;EINECS 228-051-6;DINOTERB-METHYL ETHER;DTXSID90976462;1-METHOXY-2-TERT.-BUTYL-4,6-DINITROBENZENE;1-(1,1-Dimethylethyl)-2-methoxy-3,5-dinitrobenzene

Chemical Property of 2-tert-Butyl-4,6-dinitroanisole

Chemical Property:

• Vapor Pressure: 4.68E-05mmHg at 25°C
• Melting Point: 80.5-81 °C
• Boiling Point: 360.2°C at 760 mmHg
• Flash Point: 151.6°C
• PSA: 52.41000
• Density: 1.247g/cm³
• LogP: 2.22090
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.09027155
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-tert-Butyl-4,6-dinitroanisole

There total 8 articles about 2-tert-Butyl-4,6-dinitroanisole 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:

2-tert-butylanisole (2944-48-1) → 2-tert-butyl-4,6-dinitro-anisole (6099-80-5)

Guidance literature:

With sulfuric acid; nitric acid; 1,2-dichloro-ethane;

DOI:10.1021/jo01144a011

Reference yield:

1,5-di-tert-butyl-2-methoxy-3-nitrobenzene (99758-42-6) → 2-tert-butyl-4,6-dinitro-anisole (6099-80-5)

Guidance literature:

With sulfuric acid; nitric acid; 1,2-dichloro-ethane;

DOI:10.1021/jo01144a011

Reference yield:

2-tert-butyl-4,6-dinitrophenol (1420-07-1) + dimethyl sulfate (77-78-1) → 2-tert-butyl-4,6-dinitro-anisole (6099-80-5)

Guidance literature:

With potassium carbonate; acetone;

upstream raw materials:

2-tert-butylanisole

1,5-di-tert-butyl-2-methoxy-3-nitrobenzene

2-tert-butyl-4,6-dinitrophenol

dimethyl sulfate

Downstream raw materials:

2-tert-butyl-4,6-dinitro-aniline

2-bromo-1-tert-butyl-3,5-dinitro-benzene

2-tert.-Butyl-4,6-dinitro-N-methyl-anilin

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