2-Nitrobenzyl acrylate

Base Information

• Chemical Name: 2-Nitrobenzyl acrylate
• CAS No.: 49594-70-9
• Molecular Formula: C10H9NO4
• Molecular Weight: 207.186
• European Community (EC) Number: 256-394-1
• DSSTox Substance ID: DTXSID10197915
• Nikkaji Number: J319.986J
• Wikidata: Q83070679
• Mol file: 49594-70-9.mol

Synonyms:2-Nitrobenzyl acrylate;49594-70-9;(2-nitrophenyl)methyl prop-2-enoate;EINECS 256-394-1;2-Propenoic acid, (2-nitrophenyl)methyl ester;SCHEMBL7594453;Acrylic acid 2-nitrobenzyl ester;DTXSID10197915;CVTDDZYPSGYVNN-UHFFFAOYSA-N

Chemical Property of 2-Nitrobenzyl acrylate

Chemical Property:

• Vapor Pressure: 0.000873mmHg at 25°C
• Boiling Point: 304.5°Cat760mmHg
• Flash Point: 134.7°C
• PSA: 72.12000
• Density: 1.25g/cm³
• LogP: 2.34720
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.05315777
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 2-Nitrobenzyl acrylate

There total 3 articles about 2-Nitrobenzyl acrylate 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%

2-Nitrobenzyl alcohol (612-25-9) + acryloyl chloride (814-68-6,25189-84-8) → 2-nitrobenzyl acrylate (49594-70-9)

Guidance literature:

2-Nitrobenzyl alcohol; With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.166667h; Inert atmosphere;

acryloyl chloride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1002/pola.28537

Reference yield: 73.0%

2-Nitrobenzyl alcohol (612-25-9) + Methacryloyl chloride (920-46-7,26937-45-1) → 2-nitrobenzyl acrylate (49594-70-9)

Guidance literature:

With triethylamine; In dichloromethane; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201809753

Reference yield:

acrylic acid (79-10-7) + 2-nitrophenylmethyl bromide (3958-60-9) → 2-nitrobenzyl acrylate (49594-70-9)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Darkness;

DOI:10.1039/c0cc02914a

upstream raw materials:

2-Nitrobenzyl alcohol

acryloyl chloride

acrylic acid

2-nitrophenylmethyl bromide

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