1-Nitro-2,4,6-triisopropylbenzene

Base Information

• Chemical Name: 1-Nitro-2,4,6-triisopropylbenzene
• CAS No.: 13402-31-8
• Molecular Formula: C15H23NO2
• Molecular Weight: 249.353
• European Community (EC) Number: 661-429-2
• DSSTox Substance ID: DTXSID30350404
• Nikkaji Number: J911.797K
• Wikidata: Q82126331
• Mol file: 13402-31-8.mol

Synonyms:1-Nitro-2,4,6-triisopropylbenzene;13402-31-8;1,3,5-triisopropyl-2-nitrobenzene;2-nitro-1,3,5-tri(propan-2-yl)benzene;CDS1_000754;Maybridge1_005506;Benzene, 1,3,5-tris(1-methylethyl)-2-nitro-;Oprea1_136322;DivK1c_001794;SCHEMBL9004707;HMS557C06;DTXSID30350404;AKOS024325197;CCG-247138

Chemical Property of 1-Nitro-2,4,6-triisopropylbenzene

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 249.172878976
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Nitro-2,4,6-triisopropylbenzene

There total 6 articles about 1-Nitro-2,4,6-triisopropylbenzene 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: 92.0%

phenyl(2,4,6-triisopropylphenyl)iodonium trifluoromethanesulfonate (312727-69-8) → 1,3,5-triisopropyl-2-nitrobenzene (13402-31-8) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

With sodium nitrite; In ethyl acetate; at 70 ℃; for 16h; chemoselective reaction; Sealed tube;

DOI:10.1002/anie.201603175

Reference yield: 92.0%

phenyl(2,4,6-triisopropylphenyl)iodonium trifluoromethanesulfonate (312727-69-8) → 1,3,5-triisopropyl-2-nitrobenzene (13402-31-8)

Guidance literature:

With sodium nitrite; In ethyl acetate; at 70 ℃; for 16h; chemoselective reaction; Sealed tube;

DOI:10.1002/anie.201603175

Reference yield: 71.6%

1,3,5-triisopropyl benzene (717-74-8) → 1,3,5-triisopropyl-2-nitrobenzene (13402-31-8)

Guidance literature:

With nitric acid; In acetic anhydride; acetic acid; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6dt00229c

upstream raw materials:

1,3,5-triisopropyl benzene

nitric acid

acetic anhydride

acetic acid

Downstream raw materials:

1,3,5-triisopropyl-2,4,6-trinitro-benzene

C₂₁H₃₈NOSi

C₃₀H₄₆N₂O₄

2,2',4,4',6,6'-hexaisopropylazobenzene