1-Methyl-2-(2-nitroethenyl)benzene

Base Information

• Chemical Name: 1-Methyl-2-(2-nitroethenyl)benzene
• CAS No.: 28638-59-7
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• European Community (EC) Number: 960-619-5
• ChEMBL ID: CHEMBL230195
• DSSTox Substance ID: DTXSID80879771
• Nikkaji Number: J1.022.183H,J1.042.253A
• Wikidata: Q82861891
• Mol file: 28638-59-7.mol

Synonyms:1-methyl-2-(2-nitroethenyl)benzene;34222-71-4;1-methyl-2-[(E)-2-nitroethenyl]benzene;28638-59-7;(E)-1-methyl-2-(2-nitrovinyl)benzene;1-methyl-2-(2-nitrovinyl)benzene;1-methyl-2-[(E)-2-nitrovinyl]benzene;SCHEMBL798354;CHEMBL230195;2-METHYL-B-NITROSTYRENE;DTXSID80879771;HOATZZMHBCWHOJ-VOTSOKGWSA-N;1-methyl-2-((E)-2-nitro-vinyl)-benzene;CS-0287163;Benzene, 1-methyl-2-[(E)-2-nitroethenyl]-;EN300-55550;EN300-725187

Chemical Property of 1-Methyl-2-(2-nitroethenyl)benzene

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C=C[N+](=O)[O-]
• Isomeric SMILES: CC1=CC=CC=C1/C=C/[N+](=O)[O-]

Technology Process of 1-Methyl-2-(2-nitroethenyl)benzene

There total 15 articles about 1-Methyl-2-(2-nitroethenyl)benzene 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%

nitromethane (75-52-5) + 2-methylphenyl aldehyde (529-20-4) → methyl-2 β-nitrostyrene (28638-59-7,34222-71-4)

Guidance literature:

ammonium acetate; at 90 ℃; for 2h;

Reference yield: 94.0%

→ 1-methyl-2-((E)-2-nitro-vinyl)-benzene (34222-71-4,28638-59-7)

Guidance literature:

Reference yield: 86.0%

(E)-3-(2-methylphenyl)acrylic acid (939-57-1,2373-76-4,41397-71-1) → 1-methyl-2-((E)-2-nitro-vinyl)-benzene (34222-71-4,28638-59-7)

Guidance literature:

With ferric nitrate; for 0.5h; Milling;

DOI:10.14233/ajchem.2019.21975

upstream raw materials:

nitromethane

2-methylphenyl aldehyde

2-methylcinnamic acid

ortho-methylbenzylamine

Downstream raw materials:

2-methylphenethylamine

1-hept-1ξ-enyl-2-methyl-benzene

2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide

β-methoxy-2-methyl-phenethylamine