Ethyl 2-(3-nitrophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(3-nitrophenyl)acetate
• CAS No.: 14318-64-0
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• DSSTox Substance ID: DTXSID60566713
• Nikkaji Number: J554.478E
• Wikidata: Q82452460
• Mol file: 14318-64-0.mol

Synonyms:ethyl 2-(3-nitrophenyl)acetate;14318-64-0;Ethyl 3-Nitrophenylacetate;Ethyl (3-nitrophenyl)acetate;MFCD09953138;ethyl(3-nitrophenyl)acetate;ethyl2-(3-nitrophenyl)acetate;SCHEMBL2111020;DTXSID60566713;GVSTWFAYXHCBTH-UHFFFAOYSA-N;AKOS015951039;(3-nitrophenyl)acetic acid ethyl ester;DS-5661;SY022043;Benzeneacetic acid, 3-nitro-, ethyl ester;AM20020485;CS-0151605;EN300-131455;A885006;Z1304608256

Chemical Property of Ethyl 2-(3-nitrophenyl)acetate

Chemical Property:

• Melting Point: 11-13 °C
• Boiling Point: 110 °C(Press: 0.1 Torr)
• PSA: 72.12000
• Density: 1.226±0.06 g/cm3(Predicted)
• LogP: 2.22360
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(3-nitrophenyl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(3-nitrophenyl)acetate

There total 13 articles about Ethyl 2-(3-nitrophenyl)acetate 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: 86.0%

m-iodonitrobenzene (645-00-1) + ethyl acetoacetate (141-97-9) → ethyl (3-nitrophenyI)acetate (14318-64-0)

Guidance literature:

With caesium carbonate; In 1,4-dioxane; at 100 ℃; for 12h;

DOI:10.1016/j.tetlet.2015.09.136

Reference yield: 84.0%

ethanol (64-17-5) + 3-nitro-benzeneacetic acid (1877-73-2) → ethyl (3-nitrophenyI)acetate (14318-64-0)

Guidance literature:

With sulfuric acid; for 2h; Inert atmosphere; Reflux;

DOI:10.1002/chem.201901028

Reference yield: 68.0%

→ ethyl (3-nitrophenyI)acetate (14318-64-0)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); triethylamine; In N,N-dimethyl acetamide; at 20 ℃; Sealed tube;

upstream raw materials:

(3-nitrophenyl)acetonitrile

ethanol

3-nitro-benzeneacetic acid

2-diazo-1-(3-nitrophenyl)ethanone

Downstream raw materials:

(3-amino-phenyl)-acetic acid ethyl ester

2-(3-nitrophenyl)succinic acid

2-(3-nitrophenyl)acetic hydrazide

2-aza-bicyclo[3.3.1]nonan-3-one