Ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate
• CAS No.: 81650-04-6
• Molecular Formula: C₁₁H₁₂N₂O₇
• Molecular Weight: 284.225
• European Community (EC) Number: 653-655-5
• Mol file: 81650-04-6.mol

Synonyms:ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate;81650-04-6;AKOS024319231

Chemical Property of Ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 284.06445073
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

ETHYL 3,5-DINITRO-4-HYDROXYHYDROCINNAMATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Technology Process of Ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate

There total 2 articles about Ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate 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:

4-hydroxyphenylpropionic acid (501-97-3) → 3-(4-hydroxy-3,5-dinitro-phenyl)-propionic acid ethyl ester (81650-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid / Faellen mit Wasser

2: HCl

With hydrogenchloride; nitric acid;

Reference yield:

ethanol (64-17-5) + 3-(4-hydroxy-3,5-dinitro-phenyl)-propionic acid (108302-82-5) → 3-(4-hydroxy-3,5-dinitro-phenyl)-propionic acid ethyl ester (81650-04-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 3-(4-hydroxy-3,5-dinitro-phenyl)-propionic acid ethyl ester (81650-04-6) → 3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-dinitro-phenyl]-propionic acid ethyl ester (2621-55-8)

Guidance literature:

With methanesulfonyl chloride;

DOI:10.1021/jm00328a012

upstream raw materials:

ethanol

3-(4-hydroxy-3,5-dinitro-phenyl)-propionic acid

4-hydroxyphenylpropionic acid

Downstream raw materials:

3-(4-chloro-3,5-dinitro-phenyl)-propionic acid ethyl ester

3-[4-(3,5-di-tert-butyl-4-hydroxy-phenoxy)-3,5-dinitro-phenyl]-propionic acid ethyl ester

3-[3,5-diiodo-4-(3-methoxy-phenoxy)-phenyl]-propionic acid ethyl ester

3-[3,5-diamino-4-(3-methoxy-phenoxy)-phenyl]-propionic acid ethyl ester

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