Benzene, 1-(1-methylethenyl)-2-nitro-

Base Information

• Chemical Name: Benzene, 1-(1-methylethenyl)-2-nitro-
• CAS No.: 60249-97-0
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID20447579
• Nikkaji Number: J596.322B
• Wikidata: Q82266450
• Mol file: 60249-97-0.mol

Synonyms:Benzene, 1-(1-methylethenyl)-2-nitro-;60249-97-0;alpha-Methyl-2-nitrostyrene;SCHEMBL547217;DTXSID20447579;Benzene,1-(1-methylethenyl)-2-nitro-

Chemical Property of Benzene, 1-(1-methylethenyl)-2-nitro-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(1-methylethenyl)-2-nitro-

There total 21 articles about Benzene, 1-(1-methylethenyl)-2-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: 95.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 2-nitro-benzaldehyde (552-89-6) → 1-(1-methylethenyl)-2-nitrobenzene (60249-97-0)

Guidance literature:

Methyltriphenylphosphonium bromide; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.25h;

2-nitro-benzaldehyde; In tetrahydrofuran; at 20 ℃; for 14h;

DOI:10.1021/jo200320k

Reference yield: 91.0%

2-nitrophenyl bromide (577-19-5) + 2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (126726-62-3) → 1-(1-methylethenyl)-2-nitrobenzene (60249-97-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; Inert atmosphere;

DOI:10.1002/adsc.201500700

Reference yield: 89.0%

isopropenylboronic acid (14559-87-6) + 2-nitrophenyl bromide (577-19-5) → 1-(1-methylethenyl)-2-nitrobenzene (60249-97-0)

Guidance literature:

With cis,cis,cis-tetrakis[(diphenylphosphanyl)methyl]cyclopentane; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); In xylene; at 130 ℃; for 20h;

DOI:10.1002/ejoc.200300627

upstream raw materials:

o-nitrocumene

o-nitroiodobenzene

1-Methyl-1-(1'-methylethenyl)silacyclobutane

2-acetylnitrobenzene

Downstream raw materials:

2-(2-Nitrophenyl)-2-propanol

2-isopropenylaniline

2-acetylnitrobenzene

4-methyl-2-phenylquinoline