2,4-Dinitrophenyl prop-2-enoate

Base Information

• Chemical Name: 2,4-Dinitrophenyl prop-2-enoate
• CAS No.: 62599-74-0
• Molecular Formula: C9H6N2O6
• Molecular Weight: 238.156
• DSSTox Substance ID: DTXSID90595298
• Wikidata: Q82490283
• Mol file: 62599-74-0.mol

Synonyms:62599-74-0;2,4-Dinitrophenyl prop-2-enoate;2,4-dinitrophenyl acrylate;SCHEMBL4655499;DTXSID90595298

Chemical Property of 2,4-Dinitrophenyl prop-2-enoate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 238.02258592
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-Dinitrophenyl prop-2-enoate

There total 2 articles about 2,4-Dinitrophenyl prop-2-enoate 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:

2,4-Dinitrophenol (51-28-5) + acryloyl chloride (814-68-6,25189-84-8) → 2,4-dinitrophenyl acrylate (62599-74-0)

Guidance literature:

With tetrachloromethane; sodium carbonate;

Reference yield:

→ 2,4-dinitrophenyl acrylate (62599-74-0)

Guidance literature:

2,4-Dinitrophenol, 1) KOH, A. (-> K-Salz des 2,4-Dinitrophenols), 2) entspr. Saeurechlorid;

DOI:10.1021/bi00637a005

Reference yield: 73.0%

2,4-dinitrophenyl acrylate (62599-74-0) + benzaldehyde (100-52-7) → 2,4-Dinitrophenol (51-28-5) + 3-(hydroxy(phenyl)methyl)-5-phenyldihydrofuran-2(3H)-one

Guidance literature:

With samarium; copper(l) iodide; potassium iodide; In tetrahydrofuran; at 20 ℃; diastereoselective reaction; Molecular sieve;

DOI:10.1021/acs.joc.7b00278

upstream raw materials:

2,4-Dinitrophenol

acryloyl chloride

Downstream raw materials:

2,4-Dinitrophenol

acrylic acid

Refernces