2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine

Base Information

• Chemical Name: 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
• CAS No.: 5180-59-6
• Molecular Formula: C₁₄H₂₂N₂O₂
• Molecular Weight: 250.341
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID20199743
• Nikkaji Number: J1.554.527E
• Wikidata: Q83072688
• Mol file: 5180-59-6.mol

Synonyms:2,6-ditert-butyl-4-nitroaniline;5180-59-6;2,6-BIS(1,1-DIMETHYLETHYL)-4-NITROBENZENAMINE;Benzenamine, 2,6-bis(1,1-dimethylethyl)-4-nitro-;Oprea1_120261;SCHEMBL5162979;DTXSID20199743;FHEAFSAWXGUQGP-UHFFFAOYSA-N;2,6-di-tert-butyl-4-nitroaniline;AE-562/12222748

Chemical Property of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Melting Point: 256 °C
• Boiling Point: 337.8°Cat760mmHg
• PKA: -0.70±0.20(Predicted)
• Flash Point: 158.1°C
• PSA: 71.84000
• Density: 1.056g/cm³
• LogP: 4.87640
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.168127949
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

95% ^*data from raw suppliers

2,6-DITERT-BUTYL-4-NITROANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1N)C(C)(C)C)[N+](=O)[O-]

Technology Process of 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine

There total 3 articles about 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine 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:

2,4,6-Tri-tert-butylaniline (961-38-6) → 2,6-di-tert-butyl-4-nitro-aniline (5180-59-6)

Guidance literature:

With acetic anhydride; acetic acid;

DOI:10.1177/001088040004100413

Reference yield:

2,6-di-tert-butylaniline (2909-83-3) → 2,6-di-tert-butyl-4-nitro-aniline (5180-59-6)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid;

Reference yield:

→ 2,6-di-tert-butyl-4-nitro-aniline (5180-59-6)

Guidance literature:

2,4,6-Tris-tert-butyl-anilin-chlorhydrat, Isopentyl-nitrit, AcOH (neben and. Verbb.);

upstream raw materials:

2,6-di-tert-butylaniline

2,4,6-Tri-tert-butylaniline

Downstream raw materials:

Bis-(4-Dimethylamino-2,6-di-tert.-butyl-phenyl)-disulfid

Bis-<2,6-di-tert.butyl-phenyl>-disulfid

4-Dimethylamino-2,6-di-tert.-butyl-thiophenol

2-bromo-1,3-di-tert-butyl-5-(dimethylamino)benzene