4-Ethenyl-1-methyl-2-nitrobenzene

Base Information

• Chemical Name: 4-Ethenyl-1-methyl-2-nitrobenzene
• CAS No.: 35921-01-8
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID00710011
• Wikidata: Q82645208

Synonyms:4-Ethenyl-1-methyl-2-nitrobenzene;35921-01-8;Benzene, 4-ethenyl-1-methyl-2-nitro-;SCHEMBL11231070;DTXSID00710011;1-Methyl-2-nitro-4-vinylbenzene;AKOS018695959;Benzene,4-ethenyl-1-methyl-2-nitro-;EN300-388662;A1-37843

Chemical Property of 4-Ethenyl-1-methyl-2-nitrobenzene

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Ethenyl-1-methyl-2-nitrobenzene

There total 5 articles about 4-Ethenyl-1-methyl-2-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: 60.0%

4-methyl-3-nitrobenzaldehyde (31680-07-6) + Methyltriphenylphosphonium bromide (1779-49-3) → 2-methyl-5-vinylnitrobenzene (35921-01-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; for 0.5h; Reflux;

4-methyl-3-nitrobenzaldehyde; In dichloromethane; for 3h; Reflux;

DOI:10.1002/adsc.201801611

Reference yield:

4-methyl-3-nitro-cinnamic acid (35781-34-1) → 2-methyl-5-vinylnitrobenzene (35921-01-8)

Guidance literature:

With quinoline; copper; at 210 - 215 ℃;

Reference yield:

1-[1-(4-methyl-3-nitro-phenyl)-ethyl]-pyridinium; chloride → 2-methyl-5-vinylnitrobenzene (35921-01-8)

Guidance literature:

With pyridine;

upstream raw materials:

1-(1,2-dibromoethyl)-4-methylbenzene

4-methyl-3-nitro-cinnamic acid

1-(4-methyl-3-nitro-phenyl)-ethanone

4-methyl-3-nitrobenzaldehyde

Downstream raw materials:

4-(2-Methyl-5-vinylphenyl)-thiosemicarbazid

2-Methyl-5-vinylphenyl-isothiocyanat

2-methyl-5-vinyl-aniline

5-ethyl-2-methylphenylamine

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