Ethyl 2-(4-nitrophenyl)propionate

Base Information

• Chemical Name: Ethyl 2-(4-nitrophenyl)propionate
• CAS No.: 50712-64-6
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• Hs Code.: 2916399090
• European Community (EC) Number: 256-732-8
• DSSTox Substance ID: DTXSID50964961
• Nikkaji Number: J3.548.621F
• Mol file: 50712-64-6.mol

Synonyms:ethyl 2-(4-nitrophenyl)propanoate;Ethyl 2-(4-nitrophenyl)propionate;50712-64-6;EINECS 256-732-8;ethyl (+/-)-2-(4-nitrophenyl)propionate;SCHEMBL4136472;DTXSID50964961;ethyl2-(4-nitrophenyl)propanoate;GMOOHUQPPFJAQB-UHFFFAOYSA-N;ethyl alpha-(4-nitrophenyl)-propionate;2-(4-Nitrophenyl)propanoic acid ethyl ester;CS-0312121;FT-0737290;J3.548.621F;2-(4-Nitro-phenyl)-propionic acid ethyl ester;F80345

Chemical Property of Ethyl 2-(4-nitrophenyl)propionate

Chemical Property:

• Vapor Pressure: 0.000314mmHg at 25°C
• Boiling Point: 320.6°C at 760 mmHg
• Flash Point: 134.5°C
• PSA: 72.12000
• Density: 1.188g/cm³
• LogP: 2.78460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(4-nitrophenyl)propionate

There total 11 articles about Ethyl 2-(4-nitrophenyl)propionate 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: 99.12%

ETHYL 4-NITROPHENYLACETATE (5445-26-1) + methyl iodide (74-88-4) → ethyl 2-(4-nitrophenyl)propionate (50712-64-6)

Guidance literature:

ETHYL 4-NITROPHENYLACETATE; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 0 ℃;

Reference yield: 90.0%

ethanol (64-17-5) + 2-(4-nitrophenyl)propanoic acid (19910-33-9) → ethyl 2-(4-nitrophenyl)propionate (50712-64-6)

Guidance literature:

With p-toluenesulfonic acid monohydrate; In toluene; Reflux; Molecular sieve; Dean-Stark;

DOI:10.3987/COM-15-S(T)38

Reference yield: 80.0%

nitrobenzene (98-95-3,26969-40-4) + 2-chloro-propanoic acid, ethyl ester (535-13-7) → ethyl 2-(4-nitrophenyl)propionate (50712-64-6)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -5 - 0 ℃;

DOI:10.1021/jo00177a048

upstream raw materials:

para-dinitrobenzene

Ethyl propionate

nitrobenzene

2-chloro-propanoic acid, ethyl ester

Downstream raw materials:

C₂₀H₂₂ClNO₄

2-(4-benzilamminofenil)propionico d'etile

ethyl 2-(4-aminophenyl)-2-methylpentanoate

2-methyl-2-(4-nitrophenyl)pentanoic acid