1,5-Diisopropyl-2,4-dinitrobenzene

Base Information

• Chemical Name: 1,5-Diisopropyl-2,4-dinitrobenzene
• CAS No.: 77256-78-1
• Molecular Formula: C12H16 N2 O4
• Molecular Weight: 252.27
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID50507392
• Wikidata: Q82363593
• Mol file: 77256-78-1.mol

Synonyms:77256-78-1;1,5-diisopropyl-2,4-dinitrobenzene;1,5-dinitro-2,4-di(propan-2-yl)benzene;1,5-dinitro-2,4-bis(propan-2-yl)benzene;1,5-DIISOPROPYL-2,4-DINITRO-BENZENE;Benzene,1,5-bis(1-methylethyl)-2,4-dinitro-;SCHEMBL10937606;DTXSID50507392;AKOS034276837;CS-0247883;EN300-37574;Z381547144

Chemical Property of 1,5-Diisopropyl-2,4-dinitrobenzene

Chemical Property:

• PSA: 91.64000
• LogP: 4.79620
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

1,5-DIISOPROPYL-2,4-DINITROBENZENE 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(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)C

Technology Process of 1,5-Diisopropyl-2,4-dinitrobenzene

There total 2 articles about 1,5-Diisopropyl-2,4-dinitrobenzene 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: 64.0%

1,3-diisopropylbenzene (99-62-7) → 1,3-diisopropyl-4,6-dinitrobenzene (77256-78-1)

Guidance literature:

With trifluorormethanesulfonic acid; nitric acid; In dichloromethane; 1.) 25 deg C, 1 h, 2.) 30-38 deg C, 0.5 h;

DOI:10.1021/jo00324a030

Reference yield:

1,3-diisopropylbenzene (99-62-7) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 1,3-diisopropyl-4,6-dinitrobenzene (77256-78-1)

Guidance literature:

at 70 ℃;

DOI:10.1021/ja01252a062

Reference yield: 86.0%

1,3-diisopropyl-4,6-dinitrobenzene (77256-78-1) → 4,6-diamino-1,3-diisopropylbenzene (3102-71-4)

Guidance literature:

With sodium tetrahydroborate; water; palladium on activated charcoal; for 1h; Ambient temperature;

DOI:10.1021/jo00324a030

upstream raw materials:

1,3-diisopropylbenzene

sulfuric acid

nitric acid

Downstream raw materials:

4,6-diamino-1,3-diisopropylbenzene

4,6-dinitrobenzene-1,3-dioic acid

2,6-diamino-3,5-diisopropylbromobenzene