1-Nitro-4-(2-nitropropan-2-yl)benzene

Base Information

• Chemical Name: 1-Nitro-4-(2-nitropropan-2-yl)benzene
• CAS No.: 3276-35-5
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• NSC Number: 126458
• DSSTox Substance ID: DTXSID30298852
• Nikkaji Number: J351.279G
• Wikidata: Q82040932
• Mol file: 3276-35-5.mol

Synonyms:3276-35-5;1-nitro-4-(2-nitropropan-2-yl)benzene;NSC126458;1-(1-methyl-1-nitro-ethyl)-4-nitro-benzene;DTXSID30298852;2-(4-nitrophenyl)-2-nitropropane;NSC-126458

Chemical Property of 1-Nitro-4-(2-nitropropan-2-yl)benzene

Chemical Property:

• Vapor Pressure: 9.45E-05mmHg at 25°C
• Boiling Point: 339°Cat760mmHg
• Flash Point: 161.9°C
• Density: 1.279g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 258

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)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1-Nitro-4-(2-nitropropan-2-yl)benzene

There total 12 articles about 1-Nitro-4-(2-nitropropan-2-yl)benzene 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: 91.0%

4-nitrocumyl chloride (14500-58-4) → 2-nitro-2-(4-nitrophenyl)propane (3276-35-5)

Guidance literature:

With sodium nitrite; In dimethyl sulfoxide; for 120h; Ambient temperature;

DOI:10.1021/jo00378a008

Reference yield: 83.0%

(p-nitrocumyl)quinuclidinium chloride (105639-51-8) → 2-nitro-2-(4-nitrophenyl)propane (3276-35-5)

Guidance literature:

With sodium nitrite; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 40h; Ambient temperature; Irradiation;

DOI:10.1021/jo00242a024

Reference yield: 81.0%

para-dinitrobenzene (100-25-4) + 2-nitropropane (79-46-9) → 2-nitro-2-(4-nitrophenyl)propane (3276-35-5)

Guidance literature:

With potassium tert-butylate; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 5h; Mechanism; Irradiation; reaction with 50percent of Galvinoxyl in the dark;

DOI:10.1016/S0040-4020(01)81276-X

upstream raw materials:

para-dinitrobenzene

2-nitropropane

lithium 2-nitropropane

2-Nitroso-2-<4-nitrophenyl-propan

Downstream raw materials:

1-isopropenyl-4-nitro-benzene

p-nitrocumyl phenyl ether

p-(1,1,2-trimethyl-2-nitropropyl)nitrobenzene

p,p'-dinitrobicumyl

Refernces

• 1、 Paine, Stuart W.,Ridd, John H.. "The kinetics and mechanism of the reaction of p-nitrocumyl bromide with nitrite ions in dimethyl sulfoxide. Evidence for a non-chain reaction giving a high nitro/nitrite ratio in the product". . p. 2577 - 2581. Retrieved 2007/10/03.
• 2、 Kornblum, Nathan,Ackermann, Peter,Manthey, Joseph W.,Musser, Michael T.,Pinnick, Harold W.,et al.. "Electron-Transfer Substitution Reactions: Leaving Groups". . p. 1475 - 1481. Retrieved 2007/10/02.