Ethyl 3-(3,4-dihydroxybenzoyl)propionate

Base Information

• Chemical Name: Ethyl 3-(3,4-dihydroxybenzoyl)propionate
• CAS No.: 56872-61-8
• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID301269133
• Nikkaji Number: J1.981.218I
• Wikidata: Q107802360
• Mol file: 56872-61-8.mol

Synonyms:56872-61-8;ethyl 3-(3,4-dihydroxybenzoyl)propionate;SCHEMBL11703646;RTJYJFRHMVGOGZ-UHFFFAOYSA-N;DTXSID301269133;Ethyl 3,4-dihydroxy-gamma-oxobenzenebutanoate

Chemical Property of Ethyl 3-(3,4-dihydroxybenzoyl)propionate

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 3-(3,4-dihydroxybenzoyl)propionate

There total 3 articles about Ethyl 3-(3,4-dihydroxybenzoyl)propionate 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:

ethyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (56872-60-7) → ethyl 4-(3,4-dihydroxyphenyl)-4-oxobutanoate (56872-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: boron tribromide / CH₂Cl₂ / 16 h / 0 - 20 °C

2: sulfuric acid / 2.5 h / Heating

With sulfuric acid; boron tribromide; In dichloromethane;

DOI:10.1248/cpb.52.120

Reference yield:

ethanol (64-17-5) + 3-(3,4-dihydroxybenzoyl)propionic acid (57596-02-8) → ethyl 4-(3,4-dihydroxyphenyl)-4-oxobutanoate (56872-61-8)

Guidance literature:

With sulfuric acid; for 2.5h; Heating;

DOI:10.1248/cpb.52.120

Reference yield:

→ ethyl 4-(3,4-dihydroxyphenyl)-4-oxobutanoate (56872-61-8)

Guidance literature:

upstream raw materials:

ethanol

3-(3,4-dihydroxybenzoyl)propionic acid

ethyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate