Ethyl 4-nitrophenylacetate

Base Information

• Chemical Name: Ethyl 4-nitrophenylacetate
• CAS No.: 5445-26-1
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 29163990
• European Community (EC) Number: 226-646-5
• NSC Number: 21986
• DSSTox Substance ID: DTXSID7063891
• Nikkaji Number: J149.863K
• Wikidata: Q63392738
• Mol file: 5445-26-1.mol

Synonyms:ethyl 4-nitrophenylacetate

Chemical Property of Ethyl 4-nitrophenylacetate

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.000283mmHg at 25°C
• Melting Point: 61-65 °C
• Refractive Index: 1.538
• Boiling Point: 322.217 °C at 760 mmHg
• Flash Point: 144.11 °C
• PSA: 72.12000
• Density: 1.226 g/cm³
• LogP: 2.22360
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, DMSO
• 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: 228

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 4-Nitrophenylacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: Ethyl (4-Nitrophenyl)acetate (cas# 5445-26-1) is a compound useful in organic synthesis.

Technology Process of Ethyl 4-nitrophenylacetate

There total 31 articles about Ethyl 4-nitrophenylacetate 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: 99.0%

ethanol (64-17-5) + 4-nitrobenzeneacetic acid (104-03-0) → ETHYL 4-NITROPHENYLACETATE (5445-26-1)

Guidance literature:

With sulfuric acid;

Reference yield: 98.6%

4-nitrobenzeneacetic acid (104-03-0) → ETHYL 4-NITROPHENYLACETATE (5445-26-1)

Guidance literature:

With thionyl chloride; In ethanol; at 20 ℃; for 1.5h;

Reference yield: 92.0%

ethanol (64-17-5) + 4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) → ETHYL 4-NITROPHENYLACETATE (5445-26-1)

Guidance literature:

With chloro-trimethyl-silane; at 50 ℃; for 4h;

DOI:10.1016/S0040-4039(98)02143-1

upstream raw materials:

ethanol

4-nitrobenzeneacetic acid

4-Nitrophenylacetonitrile

Ethyl 2-phenylethanoate

Downstream raw materials:

3-(4-nitrophenyl)coumarin

(4-nitro-phenyl)-fumaric acid

(4-nitro-phenyl)-maleic acid

6,6-dimethyl-2-(4-nitro-phenyl)-5-oxo-3-phenyl-heptanoic acid ethyl ester

Refernces

• 1、 -. "Immunomodulator". Paragraph 0272-0276. . Retrieved 2021/02/10.
• 2、 Zubar, Viktoriia,Dewanji, Abhishek,Rueping, Magnus. "Chemoselective Hydrogenation of Nitroarenes Using an Air-Stable Base-Metal Catalyst". supporting information. p. 2742 - 2747. Retrieved 2021/05/05.