Ethyl 2,5-dihydroxyphenylacetate

Base Information

• Chemical Name: Ethyl 2,5-dihydroxyphenylacetate
• CAS No.: 76196-46-8
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• European Community (EC) Number: 623-066-8
• NSC Number: 168524
• DSSTox Substance ID: DTXSID90304968
• Nikkaji Number: J3.313.456H
• Wikidata: Q82051344
• Mol file: 76196-46-8.mol

Synonyms:76196-46-8;ethyl homogentisate;NSC168524;DTXSID90304968;ethyl (2,5-dihydroxyphenyl)acetate;AKOS024323761;NSC-168524;ETHYL 2,5-DIHYDROXYPHENYLACETATE

Chemical Property of Ethyl 2,5-dihydroxyphenylacetate

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 360.1°C at 760 mmHg
• Flash Point: 143.6°C
• Density: 1.26g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C=CC(=C1)O)O

Technology Process of Ethyl 2,5-dihydroxyphenylacetate

There total 10 articles about Ethyl 2,5-dihydroxyphenylacetate 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: 50.0%

ethyl (2,5-dimethoxyphenyl)acetate (66469-86-1) → ethyl 2-(2,5-dihydroxyphenyl)acetate (76196-46-8)

Guidance literature:

With boron tribromide; In dichloromethane; 1)8h -80 deg C 2)3h room temp.;

Reference yield:

2,5-dimethoxyphenylacetyl chloride (52711-92-9) → ethyl 2-(2,5-dihydroxyphenyl)acetate (76196-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / pyridine / 8 h / Heating

2: 50 percent / boron tribromide / CH₂Cl₂ / 1)8h -80 deg C 2)3h room temp.

With pyridine; boron tribromide; In dichloromethane;

Reference yield:

(2,5-dimethoxyphenyl)acetic acid (1758-25-4) → ethyl 2-(2,5-dihydroxyphenyl)acetate (76196-46-8)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / benzene / 3 h / Heating

2: 77 percent / pyridine / 8 h / Heating

3: 50 percent / boron tribromide / CH₂Cl₂ / 1)8h -80 deg C 2)3h room temp.

With pyridine; thionyl chloride; boron tribromide; In dichloromethane; benzene;

upstream raw materials:

2-ethoxy-benzofuran-5-ol

ethanol

homogentisic acid

ethyl (2,5-dimethoxyphenyl)acetate

Downstream raw materials:

5-Hydroxy-2-coumaranone

ethyl (1,4-benzoquinolyl)acetate

Refernces