Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]acetate

Base Information

• Chemical Name: Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]acetate
• CAS No.: 88521-76-0
• Molecular Formula: C14H17NO6
• Molecular Weight: 295.292
• DSSTox Substance ID: DTXSID40523021
• Wikidata: Q82388789
• Mol file: 88521-76-0.mol

Synonyms:88521-76-0;Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]acetate;DTXSID40523021

Chemical Property of Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]acetate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 295.10558726
• Heavy Atom Count: 21
• Complexity: 389

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C(C)C

Technology Process of Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]acetate

There total 2 articles about Ethyl [2-(2-methylpropanoyl)-4-nitrophenoxy]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: 77.7%

ethyl bromoacetate (105-36-2) + 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (88521-75-9) → ethyl 2-isobutyryl-4-nitrophenoxyacetate (88521-76-0)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

DOI:10.1246/bcsj.56.2762

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → ethyl 2-isobutyryl-4-nitrophenoxyacetate (88521-76-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 8.6 percent / AlCl₃ / nitrobenzene

2: 77.7 percent / K₂CO₃ / acetone / 3 h / Heating

With aluminium trichloride; potassium carbonate; In nitrobenzene; acetone;

DOI:10.1246/bcsj.56.2762

Reference yield: 95.0%

ethyl 2-isobutyryl-4-nitrophenoxyacetate (88521-76-0) → 2-isobutyryl-4-nitrophenoxyacetic acid (88521-66-8)

Guidance literature:

With potassium carbonate; In water; for 0.666667h; Heating;

DOI:10.1246/bcsj.56.2762

upstream raw materials:

ethyl bromoacetate

1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one

4-nitro-phenol

Downstream raw materials:

2-isobutyryl-4-nitrophenoxyacetic acid