Ethyl 2,3-dihydroxybenzoate

Base Information

• Chemical Name: Ethyl 2,3-dihydroxybenzoate
• CAS No.: 3943-73-5
• Molecular Formula: C9H10 O4
• Molecular Weight: 182.176
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID90381572
• Nikkaji Number: J2.219.987K
• Wikidata: Q82172471
• ChEMBL ID: CHEMBL442631
• Mol file: 3943-73-5.mol

Synonyms:ethyl 2,3-dihydroxybenzoate;3943-73-5;2,3-DIHYDROXY-BENZOIC ACID ETHYL ESTER;2,3-dihydroxybenzoic acid ethyl ester;3-(Ethoxycarbonyl)catechol;Benzoic acid, 2,3-dihydroxy-, ethyl ester;Maybridge3_004325;ethyl2,3-dihydroxybenzoate;SCHEMBL340364;CHEMBL442631;DTXSID90381572;RHMQSXRCGOZYND-UHFFFAOYSA-N;HMS1443E13;MFCD03644149;AKOS006229828;IDI1_015712;TS-02537;CS-0061542;FT-0625887;A873653;N-(3-(DIETHYLAMINO)METHYL)-4-HYDROXYPHENYLACETAMIDE

Chemical Property of Ethyl 2,3-dihydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.000406mmHg at 25°C
• Melting Point: 65-67°C
• Refractive Index: 1.573
• Boiling Point: 307.2°C at 760 mmHg
• Flash Point: 123°C
• PSA: 66.76000
• Density: 1.294g/cm³
• LogP: 1.27450
• Storage Temp.: Inert atmosphere,Room Temperature
• 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%min ^*data from raw suppliers

Ethyl 2,3-dihydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of Ethyl 2,3-dihydroxybenzoate

There total 9 articles about Ethyl 2,3-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: 100.0%

ethanol (64-17-5) + 2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-dihydroxybenzoicacid ethylester (3943-73-5)

Guidance literature:

sulfuric acid; for 24h; Reflux;

Reference yield: 91.4%

→ 2,3-dihydroxybenzoicacid ethylester (3943-73-5)

Guidance literature:

Reference yield: 85.0%

2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-dihydroxybenzoicacid ethylester (3943-73-5)

Guidance literature:

With sulfuric acid; In ethanol; water;

upstream raw materials:

ethanol

2,3-Dihydroxybenzoic acid

chlorure de 2,3-dioxosulfinylbenzoyle

malonaldehydebis(dimethylacetal)

Downstream raw materials:

2,3-Dihydroxybenzoic acid

ethyl 1,4-benzodioxane-5-carboxylate

Refernces

• 1、 Van Craen, David,Rath, Wolfgang H.,Huth, Marina,Kemp, Laura,R?uber, Christoph,Wollschl?ger, Jan M.,Schalley, Christoph A.,Valkonen, Arto,Rissanen, Kari,Albrecht, Markus. "Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions". . p. 16959 - 16966. Retrieved 2017/11/30.
• 2、 -. "SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES". Page/Page column 25. . Retrieved 2012/02/01.