3-Methyl-3'-nitro-1,1'-biphenyl

Base Information

• Chemical Name: 3-Methyl-3'-nitro-1,1'-biphenyl
• CAS No.: 952-03-4
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.236
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID80460502
• Nikkaji Number: J2.135.444I
• Wikidata: Q82284562
• Mol file: 952-03-4.mol

Synonyms:3-Methyl-3'-nitro-1,1'-biphenyl;952-03-4;1-methyl-3-(3-nitrophenyl)benzene;SCHEMBL12360611;DTXSID80460502;MFCD21332989;BS-24656

Chemical Property of 3-Methyl-3'-nitro-1,1'-biphenyl

Chemical Property:

• Melting Point: 68 °C(Solv: ethanol (64-17-5))
• Boiling Point: 344.5±21.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.166±0.06 g/cm3(Predicted)
• LogP: 4.09340
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-3'-nitro-1,1'-biphenyl

There total 1 articles about 3-Methyl-3'-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: 61.0%

3-methylbenzoic acid anhydride (21436-44-2) + tris(3-nitrophenyl)-1,3,5,2,4,6-trioxatriborinane (220210-17-3) → 3-methyl-3'-nitro-1,1'-biphenyl (952-03-4) + 3'-methyl-3-nitrobenzophenone (32641-96-6)

Guidance literature:

With potassium fluoride; chlorobis(ethylene)rhodium(I) dimer; In 1,3,5-trimethyl-benzene; at 160 ℃; for 8h;

DOI:10.1002/adsc.200404190

Reference yield: 75.0%

3-methyl-3'-nitro-1,1'-biphenyl (952-03-4) → 3′-nitro[1,1′-biphenyl]-3-carboxylic acid (149505-87-3)

Guidance literature:

With pyridine; potassium permanganate; In water; at 20 ℃; for 4h; Reflux;

DOI:10.1021/jm901755g

Reference yield:

3-methyl-3'-nitro-1,1'-biphenyl (952-03-4) → 3‐(3‐methylphenyl)aniline (400749-90-8)

Guidance literature:

With stannous chloride dihydrate; In ethyl acetate; for 2h; Reflux; Inert atmosphere;

DOI:10.1021/jm900030h

upstream raw materials:

3-methylbenzoic acid anhydride

tris(3-nitrophenyl)-1,3,5,2,4,6-trioxatriborinane

Downstream raw materials:

3‐(3‐methylphenyl)aniline

3′-nitro[1,1′-biphenyl]-3-carboxylic acid

Refernces