4'-Methyl-2-nitrobiphenyl

Base Information

• Chemical Name: 4'-Methyl-2-nitrobiphenyl
• CAS No.: 70680-21-6
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.236
• DSSTox Substance ID: DTXSID10439983
• Nikkaji Number: J1.139.628C
• Wikidata: Q82256111
• Mol file: 70680-21-6.mol

Synonyms:4'-methyl-2-nitrobiphenyl;70680-21-6;2-NITRO-4'-METHYLBIPHENYL;4-Methyl-2'-nitrobiphenyl;2-(4-methylphenyl)nitrobenzene;SCHEMBL2954856;DTXSID10439983;XOFOCFDXWDCHJH-UHFFFAOYSA-N;4'-Methyl-2-nitro-1,1'-biphenyl;4-Methyl-2'-nitro-1,1'-biphenyl;4-methyl-2'-nitro[1,1'-biphenyl];SY286665;4 inverted exclamation mark -Methyl-2-nitrobiphenyl;4-Methyl-2 inverted exclamation mark -nitrobiphenyl

Chemical Property of 4'-Methyl-2-nitrobiphenyl

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Methyl-2-nitrobiphenyl

There total 10 articles about 4'-Methyl-2-nitrobiphenyl 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: 70.0%

2-nitrophenyl bromide (577-19-5) + tri(p-tolyl)bismuth (5142-75-6) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4-methyl-2'-nitrobiphenyl (70680-21-6)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In N,N-dimethyl acetamide; at 90 ℃; for 2h;

DOI:10.1016/j.tet.2008.04.011

Reference yield: 45.0%

4-tolyl iodide (624-31-7) + 2-nitrophenyl bromide (577-19-5) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4-methyl-2'-nitrobiphenyl (70680-21-6)

Guidance literature:

With tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine; palladium diacetate; In xylene; at 130 ℃; for 69h;

DOI:10.1016/S0040-4020(01)00752-9

Reference yield: 37.0%

ortho-nitrobenzoic acid (552-16-9,104810-18-6) + p-tolyl triflate (29540-83-8) → 4-methyl-2'-nitrobiphenyl (70680-21-6) + nitrobenzene (98-95-3,26969-40-4)

Guidance literature:

With (1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate; potassium tert-butylate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; at 170 ℃; for 1h;

DOI:10.1039/c0cc05708h

upstream raw materials:

p-toluidine

nitrobenzene

4-Methylbiphenyl

nitric acid

Downstream raw materials:

2'-nitro-1,1'-biphenyl-4-carboxaldehyde

2-iodo-4'-methylbiphenyl

2-(4-methylphenyl)aniline

C₂₃H₁₇N₃O₅S