2,6-Diisopropyl-4-nitroaniline

Base Information

• Chemical Name: 2,6-Diisopropyl-4-nitroaniline
• CAS No.: 163704-72-1
• Molecular Formula: C12H18N2O2
• Molecular Weight: 222.287
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID70398825
• Nikkaji Number: J2.238.229B
• Wikidata: Q82201025
• Mol file: 163704-72-1.mol

Synonyms:2,6-Diisopropyl-4-nitroaniline;163704-72-1;4-nitro-2,6-di(propan-2-yl)aniline;Benzenamine,2,6-bis(1-methylethyl)-4-nitro-;SCHEMBL3607570;DTXSID70398825;VQMXCKREXFUBLS-UHFFFAOYSA-N;AKOS015911014;SB79953;CS-0119483;FT-0643581;A810502

Chemical Property of 2,6-Diisopropyl-4-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Melting Point: 125-126 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Refractive Index: 1.555
• Boiling Point: 333 °C at 760 mmHg
• PKA: 0.70±0.20(Predicted)
• Flash Point: 155.2 °C
• PSA: 71.84000
• Density: 1.091 g/cm³
• LogP: 4.52820
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.136827821
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

2,6-DIISOPROPYL-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)C1=CC(=CC(=C1N)C(C)C)[N+](=O)[O-]

Technology Process of 2,6-Diisopropyl-4-nitroaniline

There total 3 articles about 2,6-Diisopropyl-4-nitroaniline 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: 96.0%

N-(2,6-diisopropyl-4-nitrophenyl)-4-methylbenzenesulfonamide (474328-43-3) → 4-nitro-2,6-diisopropyl aniline (163704-72-1)

Guidance literature:

With sulfuric acid; at 70 ℃; for 3h;

DOI:10.1016/j.bmcl.2005.09.056

Reference yield: 68.0%

2,6-diisopropylbenzenamine (24544-04-5) → 4-nitro-2,6-diisopropyl aniline (163704-72-1)

Guidance literature:

With 4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2005.08.009

Reference yield:

N-(2,6-diisopropylphenyl)tosylamide (163704-71-0) → 4-nitro-2,6-diisopropyl aniline (163704-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / aq. NaNO₂; HNO₃ / acetic acid / 12 h / Heating

2: 93 percent / aq. H₂SO₄ / 24 h / 20 °C

With sulfuric acid; nitric acid; sodium nitrite; In acetic acid;

DOI:10.1002/1521-3765(20020703)8:13<2847::AID-CHEM2847>3.0.CO;2-M

upstream raw materials:

N-(2,6-diisopropyl-4-nitrophenyl)-4-methylbenzenesulfonamide

2,6-diisopropylbenzenamine

N-(2,6-diisopropylphenyl)tosylamide

Downstream raw materials:

4-amino-2,6-diisopropylaniline

[1-(3,5-diisopropyl-phenylcarbamoyl)-2-methyl-propyl]-methyl-carbamic acid tert-butyl ester

3,5-diisopropylaniline

1-{1-butyl-2-oxo-4-[3-(3-piperidin-1-yl-propoxy)-phenyl]-1,2-dihydro-[1,8]naphthyridin-3-yl}-3-[2,6-diisopropyl-4-(trityl-amino)-phenyl]-urea