Ethyl 2,5-dihydroxybenzoate

Base Information

• Chemical Name: Ethyl 2,5-dihydroxybenzoate
• CAS No.: 3943-91-7
• Molecular Formula: C9H10 O4
• Molecular Weight: 182.176
• European Community (EC) Number: 223-530-6
• DSSTox Substance ID: DTXSID90192600
• Nikkaji Number: J79.884C
• Wikidata: Q72474439
• Pharos Ligand ID: 3BKW1M8VV4XF
• ChEMBL ID: CHEMBL2333584
• Mol file: 3943-91-7.mol

Synonyms:Ethyl 2,5-dihydroxybenzoate;3943-91-7;ethyl gentisate;Benzoic acid, 2,5-dihydroxy-, ethyl ester;CHEMBL2333584;EINECS 223-530-6;Ethyl2,5-dihydroxybenzoate;Gentisic acid, ethyl ester;SCHEMBL39259;mono ethoxycarbonyl hydroquinone;Ethyl 2,5-dihydroxybenzoate #;DTXSID90192600;Ethyl 2,5-dihydroxybenzoate, 97%;BDBM50428374;2,5-dihydroxybenzoic acid ethyl ester;AKOS022641002;2,5-dihydroxybenzoic acid, ethyl ester;ETHYL 2 5-DIHYDROXYBENZOATE 97;F87452

Chemical Property of Ethyl 2,5-dihydroxybenzoate

Chemical Property:

• Vapor Pressure: 5.46E-05mmHg at 25°C
• Melting Point: 77-81 °C(lit.)
• Boiling Point: 337.2°Cat760mmHg
• Flash Point: 137.2°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 2,5-dihydroxybenzoate ^*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=CC(=C1)O)O
• Uses: Ethyl 2,5-dihydroxybenzoate may be used for developing fourth generation acid dendrons.

Technology Process of Ethyl 2,5-dihydroxybenzoate

There total 10 articles about Ethyl 2,5-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: 99.0%

2,5-dihydroxybenzoic acid. (490-79-9) + boron trifluoride diethyl etherate (109-63-7) → ethyl 2,5-dihydroxybenzoate (3943-91-7)

Guidance literature:

at 120 ℃; for 4h;

DOI:10.4314/bcse.v32i2.16

Reference yield: 93.0%

ethanol (64-17-5) + 2,5-dihydroxybenzoic acid. (490-79-9) → ethyl 2,5-dihydroxybenzoate (3943-91-7)

Guidance literature:

With sulfuric acid; for 144h; Heating;

DOI:10.1002/chem.200700387

Reference yield: 90.0%

diethyl sulfate (64-67-5) + 2,5-dihydroxybenzoic acid. (490-79-9) → ethyl 2,5-dihydroxybenzoate (3943-91-7)

Guidance literature:

With sodium hydrogencarbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 40 ℃; for 0.5h;

DOI:10.1080/00397910701845480

upstream raw materials:

ethanol

2,5-dihydroxybenzoic acid.

2,5-bis<(trimethylsilyl)oxy>furan

ethyl acrylate

Downstream raw materials:

2,5-dihydroxybenzohydrazide

2,5-dihydroxy-N-(2-hydroxyethyl)benzamide

2-ethoxycarbonyl-1,4-benzoquinone

ethyl 5-(4-vinylbenzyloxy)-2-hydroxybenzoate

Refernces

• 1、 Baud, Damien,Bebrone, Carine,Becker, Katja,Benvenuti, Manuela,Cerboni, Giulia,Chelini, Giulia,Cutolo, Giuliano,De Luca, Filomena,Docquier, Jean-Denis,Feller, Georges,Fischer, Marina,Galleni, Moreno,Gavara, Laurent,Gresh, Nohad,Kwapien, Karolina,Legru, Alice,Mangani, Stefano,Mercuri, Paola,Pozzi, Cecilia,Sannio, Filomena,Sevaille, Laurent,Tanfoni, Silvia,Verdirosa, Federica,Berthomieu, Dorothée,Bestgen, Beno?t,Frère, Jean-Marie,Hernandez, Jean-Fran?ois. "4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2020/09/16.
• 2、 Jumbam, Ndze D.,Maganga, Yamkela,Masamba, Wayiza,Mbunye, Nomthandazo I.,Mgoqi, Esethu,Mtwa, Sphumusa. "Unprecedented alkylation of carboxylic acids by boron trifluoride etherate". . p. 387 - 392. Retrieved 2018/09/06.