3-Methoxy-4'-nitro-1,1'-biphenyl

Base Information

• Chemical Name: 3-Methoxy-4'-nitro-1,1'-biphenyl
• CAS No.: 107624-96-4
• Molecular Formula: C13H11NO3
• Molecular Weight: 229.235
• DSSTox Substance ID: DTXSID50532841
• Nikkaji Number: J2.001.565I
• Wikidata: Q82405759
• Mol file: 107624-96-4.mol

Synonyms:3-Methoxy-4'-nitro-1,1'-biphenyl;107624-96-4;1-Methoxy-3-(4-nitrophenyl)benzene;SCHEMBL7353696;DTXSID50532841;MFCD09909441;AKOS015888697;BS-26378;A895408

Chemical Property of 3-Methoxy-4'-nitro-1,1'-biphenyl

Chemical Property:

• Melting Point: 91-92 °C(Solv: methanol (67-56-1))
• Boiling Point: 369.1±17.0 °C(Predicted)
• PSA: 55.05000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 3.79360
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxy-4''-nitro-1,1''-biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 3-Methoxy-4'-nitro-1,1'-biphenyl

There total 25 articles about 3-Methoxy-4'-nitro-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: 98.0%

p-nitrobenzene iodide (636-98-6) + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 3-methoxy-4'-nitro-1,1'-biphenyl (107624-96-4)

Guidance literature:

With air; iodine; potassium carbonate; polyethylene glycol 400; at 140 ℃; for 24h;

DOI:10.1002/adsc.200800624

Reference yield: 97.0%

3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) + para-nitrophenyl bromide (586-78-7) → 3-methoxy-4'-nitro-1,1'-biphenyl (107624-96-4)

Guidance literature:

With C₂₂H₂₆N₂O₆Pd₂; potassium carbonate; In isopropyl alcohol; at 20 ℃; for 20h;

DOI:10.1002/aoc.3113

Reference yield: 95.0%

3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) + 4-chlorobenzonitrile (100-00-5) → 3-methoxy-4'-nitro-1,1'-biphenyl (107624-96-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 36h; Solvent; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.1246/cl.160369

upstream raw materials:

3,4'-dinitro-1,1'-biphenyl

sodium methylate

p-nitrobenzene iodide

3-methoxy-1-iodobenzene