1-(2-Methylprop-1-enyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(2-Methylprop-1-enyl)-4-nitrobenzene
• CAS No.: 1012-18-6
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID90509754
• Nikkaji Number: J1.108.553I
• Mol file: 1012-18-6.mol

Synonyms:1012-18-6;1-(2-Methylprop-1-en-1-yl)-4-nitrobenzene;1-(2-methylprop-1-enyl)-4-nitrobenzene;SCHEMBL6954094;DTXSID90509754;1-(2-methyl-1-propenyl)-4-nitrobenzene

Chemical Property of 1-(2-Methylprop-1-enyl)-4-nitrobenzene

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Methylprop-1-enyl)-4-nitrobenzene

There total 14 articles about 1-(2-Methylprop-1-enyl)-4-nitrobenzene 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: 100.0%

p-nitrobenzene iodide (636-98-6) + 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-propene (126689-00-7) → β,β-dimethyl-p-nitrostyrene (1012-18-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In 1,4-dioxane; dichloromethane; water; at 90 ℃; for 20h; Inert atmosphere;

Reference yield: 90.0%

4-nitrobenzaldehdye (555-16-8) + (2-methoxycarbonyl-prop-2-yl) triphenylphosphonium iodide (82571-90-2) → β,β-dimethyl-p-nitrostyrene (1012-18-6)

Guidance literature:

1.) 105 deg C to 119 deg C, 8 min, 2.) 119 deg C to 122 deg C, 4 min;

Reference yield: 78.0%

isopropyltriphenylphosphonium iodide (24470-78-8) + 4-nitrobenzaldehdye (555-16-8) → β,β-dimethyl-p-nitrostyrene (1012-18-6)

Guidance literature:

isopropyltriphenylphosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h; Inert atmosphere;

4-nitrobenzaldehdye; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201912119

upstream raw materials:

2-nitropropane

p-nitrobenzylidyne tribromide

2-(4-nitrobenzyl)-2-nitropropane

4-nitrobenzaldehdye

Downstream raw materials:

1,2-Dibromo-2-methyl-1-p-nitrophenylpropan

2-methoxy-2-methyl-1-(p-nitrophenyl)propane

2-methyl-3-p-nitrophenylprop-1-ene

p-(2-chloro-2-methylpropyl)nitrobenzene