Ethyl 2,4-dihydroxybenzoate

Base Information

• Chemical Name: Ethyl 2,4-dihydroxybenzoate
• CAS No.: 4143-00-4
• Molecular Formula: C9H10 O4
• Molecular Weight: 182.176
• European Community (EC) Number: 622-206-5
• DSSTox Substance ID: DTXSID50356307
• Nikkaji Number: J409.536G
• Wikidata: Q82135572
• Pharos Ligand ID: 75UK4BXRSAXQ
• ChEMBL ID: CHEMBL466810
• Mol file: 4143-00-4.mol

Synonyms:ethyl 2,4-dihydroxybenzoate

Chemical Property of Ethyl 2,4-dihydroxybenzoate

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.573
• Boiling Point: 358.5°C at 760 mmHg
• Flash Point: 147.2°C
• PSA: 66.76000
• Density: 1.294g/cm³
• LogP: 1.27450
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

ETHYL 2,4-DIHYDROXYBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethyl 2,4-dihydroxybenzoate

There total 6 articles about Ethyl 2,4-dihydroxybenzoate 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: 95.0%

ethanol (64-17-5) + 2,4-dihydroxybenzoyl chloride (57438-38-7) → ethyl 2,4-dihydroxybenzoate (4143-00-4)

Guidance literature:

at 0 ℃; for 0.5h;

DOI:10.1016/j.molliq.2021.116911

Reference yield: 50.0%

2,4-Diacetoxy-benzoic acid ethyl ester → ethyl 2,4-dihydroxybenzoate (4143-00-4) + 2-Acetoxy-4-hydroxy-benzoic acid ethyl ester

Guidance literature:

With porcine pancreatic lipase; In tetrahydrofuran; butan-1-ol; at 28 - 30 ℃; for 528h;

DOI:10.1016/S0040-4020(96)01118-0

Reference yield:

2,4-dihydroxy-benzimidic acid ethyl ester → ethyl 2,4-dihydroxybenzoate (4143-00-4)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ethanol

methyl 2,4-dihydroxybenzoate

2,4-dihydroxybenzoyl chloride

4-hydroxysalicylic acid

Downstream raw materials:

C₁₉H₃₀O₄

C₁₂H₉N₃O₆

Ethyl 4-pentyloxy-2-hydroxybenzoate

2,4-bis-β-D-glucopyranosyloxy-benzoic acid ethyl ester

Refernces

• 1、 Opalade, Adedamola A.,Karmakar, Anirban,Rúbio,Pombeiro, Armando J. L.,Gerasimchuk, Nikolay. "Zinc Complexes with Cyanoxime: Structural, Spectroscopic, and Catalysis Studies in the Pivaloylcyanoxime-Zn System". . p. 13962 - 13974. Retrieved 2017/11/24.