5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl

Base Information

• Chemical Name: 5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl
• CAS No.: 114324-70-8
• Molecular Formula: C14H12N2O4
• Molecular Weight: 272.26
• DSSTox Substance ID: DTXSID80555245
• Nikkaji Number: J3.013.365J
• Wikidata: Q82436542
• Mol file: 114324-70-8.mol

Synonyms:114324-70-8;5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl;DTXSID80555245

Chemical Property of 5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 272.07970687
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C2=C(C=CC(=C2)C)[N+](=O)[O-]

Technology Process of 5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl

There total 1 articles about 5,5'-Dimethyl-2,2'-dinitro-1,1'-biphenyl 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: 58.0%

5-methyl-2-nitrobenzoic acid (3113-72-2) + Pentafluorobenzoic acid (602-94-8) → decafluorobiphenyl (434-90-2) + 2,3,4,5,6-pentafluoro-5'-methyl-2'-nitro-1,1'-biphenyl (1218780-42-7) + 5,5'-dimethyl-2,2'-dinitro-1,1'-biphenyl (114324-70-8)

Guidance literature:

With triphenylphosphine; silver carbonate; palladium dichloride; In dimethyl sulfoxide; at 130 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.201100913

Reference yield: 99.0%

5,5'-dimethyl-2,2'-dinitro-1,1'-biphenyl (114324-70-8) → 5,5′-dimethyl-[1,1′-biphenyl]-2,2′-diamine (59594-56-8)

Guidance literature:

With palladium on activated charcoal; ammonium formate; In water; isopropyl alcohol; at 20 ℃; for 0.25h;

DOI:10.1055/s-0039-1690759

Reference yield:

5,5'-dimethyl-2,2'-dinitro-1,1'-biphenyl (114324-70-8) → 3,6-Dimethyl-9H-carbazole (5599-50-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium formate; palladium on activated charcoal / water; isopropyl alcohol / 0.25 h / 20 °C

2: phosphoric acid / diethylene glycol / 24 h / 200 °C

With phosphoric acid; palladium on activated charcoal; ammonium formate; In water; isopropyl alcohol; diethylene glycol;

DOI:10.1055/s-0039-1690759

upstream raw materials:

5-methyl-2-nitrobenzoic acid

Pentafluorobenzoic acid

Downstream raw materials:

5,5′-dimethyl-[1,1′-biphenyl]-2,2′-diamine

3,6-Dimethyl-9H-carbazole