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

Base Information

• Chemical Name: 2-Methyl-3'-nitro-1,1'-biphenyl
• CAS No.: 51264-60-9
• Molecular Formula: C₁₃H₁₁NO₂
• Molecular Weight: 213.236
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID00403552
• Nikkaji Number: J2.545.391C
• Wikidata: Q82207247
• Mol file: 51264-60-9.mol

Synonyms:2-Methyl-3'-nitro-1,1'-biphenyl;1-methyl-2-(3-nitrophenyl)benzene;51264-60-9;2-Methyl-3'-nitrobiphenyl;SCHEMBL5849628;DTXSID00403552;BCA26460;MFCD03934885;AKOS015999280;BS-28836;CS-0204745;A871329

Chemical Property of 2-Methyl-3'-nitro-1,1'-biphenyl

Chemical Property:

• PSA: 45.82000
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Methyl-3'-nitro-1,1'-biphenyl

There total 12 articles about 2-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: 92.0%

2-methylphenyl bromide (95-46-5) + m-nitrobenzene boronic acid (13331-27-6) → 3-nitro-2'-methylbiphenyl (51264-60-9)

Guidance literature:

With potassium phosphate; tetrabutylammomium bromide; In water; at 65 ℃; for 0.5h;

DOI:10.1039/b817855k

Reference yield: 90.0%

m-iodonitrobenzene (645-00-1) + o-tolyl magnesium chloride (33872-80-9) → 3-nitro-2'-methylbiphenyl (51264-60-9)

Guidance literature:

o-tolyl magnesium chloride; With zinc(II) chloride; In 1-methyl-pyrrolidin-2-one; diethyl ether; at 60 ℃; for 0.333333h;

m-iodonitrobenzene; ((Cy₂POH)2PdCl)2; In 1-methyl-pyrrolidin-2-one; at 65 ℃; for 3h; Further stages.;

DOI:10.1021/jo801445y

Reference yield: 87.0%

m-nitrobromobenzene (585-79-5) + tri-o-tolylbismuth (10050-08-5) → 3-nitro-2'-methylbiphenyl (51264-60-9)

Guidance literature:

With potassium phosphate; copper(l) iodide; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 90 ℃; for 3h; Reagent/catalyst;

DOI:10.1039/c5ra23311a

upstream raw materials:

m-iodonitrobenzene

ortho-methylphenyl iodide

1-(3-nitrophenyl)-3,3-dimethyltriazene

toluene

Downstream raw materials:

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

3‐(2‐methylphenyl)aniline