Biphenyl, 2-methyl-4'-nitro-

Base Information

• Chemical Name: Biphenyl, 2-methyl-4'-nitro-
• CAS No.: 33350-73-1
• Molecular Formula: C13H11 N O2
• Molecular Weight: 213.236
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID90186968
• Nikkaji Number: J22.019A
• ChEMBL ID: CHEMBL167511
• Mol file: 33350-73-1.mol

Synonyms:33350-73-1;BIPHENYL, 2-METHYL-4'-NITRO-;2-METHYL-4'-NITROBIPHENYL;1-methyl-2-(4-nitrophenyl)benzene;2-Methyl-4'-nitro-1,1'-biphenyl;2'-Methyl-4-nitrobiphenyl;BRN 2370289;3-05-00-01800 (Beilstein Handbook Reference);4-(2-methylphenyl)nitrobenzene;CHEMBL167511;SCHEMBL5277109;DTXSID90186968;1,1'-Biphenyl, 2-methyl-4'-nitro-;LS-44443;A875318

Chemical Property of Biphenyl, 2-methyl-4'-nitro-

Chemical Property:

• Boiling Point: 334.3°Cat760mmHg
• Flash Point: 151.6°C
• PSA: 45.82000
• Density: 1.166g/cm³
• LogP: 4.09340
• 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: 241

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Biphenyl, 2-methyl-4'-nitro-

There total 11 articles about Biphenyl, 2-methyl-4'-nitro- 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: 99.0%

2-Methylphenylboronic acid (16419-60-6) + 4-chlorobenzonitrile (100-00-5) → 2-methyl-4'-nitro-1,1'-biphenyl (33350-73-1)

Guidance literature:

With sodium tetrachloropalladate(II); 5-[3-(4-carboxy-2,6-dimethylphenyl)-2-thioxoimidazolidin-1-yl]benzene-1,2,3-tricarboxylic acid; tetrabutylammomium bromide; potassium hydroxide; In water; at 100 ℃; for 12h; Sealed tube;

DOI:10.1055/s-0036-1589150

Reference yield: 95.0%

2-methylphenylzinc chloride (84109-17-1) + 4-chlorobenzonitrile (100-00-5) → 2-methyl-4'-nitro-1,1'-biphenyl (33350-73-1)

Guidance literature:

With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.416667h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/anie.201808386

Reference yield: 94.0%

o-tolyl magnesium chloride (33872-80-9) + 4-chlorobenzonitrile (100-00-5) → 2-methyl-4'-nitro-1,1'-biphenyl (33350-73-1)

Guidance literature:

o-tolyl magnesium chloride; With zinc(II) chloride; In tetrahydrofuran; at 20 ℃; for 0.333333h;

4-chlorobenzonitrile; With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 100 ℃; for 2h; Further stages.;

DOI:10.1021/ja003954y

upstream raw materials:

4-nitro-aniline

toluene

α-(4-nitrophenylazo)triphenylmethane

o-tolyl magnesium chloride

Downstream raw materials:

4'-nitro-[1,1'-biphenyl]-2-carboxylic acid

N-(2'-Methyl-biphenyl-4-yl)-hydroxylamine

2'-Methyl-4-<4-decyloxy-benzylidenamino>-biphenyl