Ethyl 7-hydroxycoumarin-4-carboxylate

Base Information

• Chemical Name: Ethyl 7-hydroxycoumarin-4-carboxylate
• CAS No.: 1084-45-3
• Molecular Formula: C₁₂H₁₀O₅
• Molecular Weight: 234.208
• Hs Code.: 2932209090
• European Community (EC) Number: 813-613-0
• DSSTox Substance ID: DTXSID60420669
• Wikidata: Q82231977
• Mol file: 1084-45-3.mol

Synonyms:1084-45-3;Ethyl 7-hydroxycoumarin-4-carboxylate;ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate;ethyl 7-hydroxy-2-oxochromene-4-carboxylate;HMS1433A11;Maybridge3_000715;Oprea1_323809;SCHEMBL2812687;4-Carbethoxy-7-hydroxy-coumarin;DTXSID60420669;MFCD00174422;AKOS015856524;CCG-244392;PS-7667;IDI1_012102;CS-0130782;FT-0633316;ethyl 7-hydroxy-2-oxo-chromene-4-carboxylate;A801877;Ethyl 7-hydroxy-2-oxo-2H-1-benzopyran-4-carboxylate;2H-1-Benzopyran-4-carboxylic acid, 7-hydroxy-2-oxo-, ethyl ester

Chemical Property of Ethyl 7-hydroxycoumarin-4-carboxylate

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Melting Point: 149-151oC
• Boiling Point: 448.3°C at 760 mmHg
• PKA: 7.32±0.20(Predicted)
• Flash Point: 178.6°C
• PSA: 76.74000
• Density: 1.397g/cm³
• LogP: 1.67530
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

Ethyl7-Hydroxycoumarin-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)OC2=C1C=CC(=C2)O

Technology Process of Ethyl 7-hydroxycoumarin-4-carboxylate

There total 6 articles about Ethyl 7-hydroxycoumarin-4-carboxylate 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: 80.0%

diethyloxalacetate sodium salt + recorcinol (108-46-3) → ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate (1084-45-3)

Guidance literature:

In concentrated phosphoric acid;

Reference yield: 43.0%

recorcinol (108-46-3) + sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate (40876-98-0,88330-76-1,125898-38-6) → ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate (1084-45-3)

Guidance literature:

for 96h; Reflux;

DOI:10.1021/jm4000769

Reference yield: 26.0%

acetylenedicarboxylic acid diethyl ester (762-21-0) + recorcinol (108-46-3) → ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate (1084-45-3) + ethyl 5-hydroxy-2-oxo-2H-chromene-4-carboxylate

Guidance literature:

With copper(II) oxide; In toluene; at 110 ℃; for 2.5h; under 760.051 Torr; Overall yield = 70 %;

DOI:10.1016/j.tet.2014.07.032

upstream raw materials:

4-Methyl-benzoic acid (3aR,4R,6R,6aR)-6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester

recorcinol

diethyl oxaloacetate

sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate

Downstream raw materials:

C₁₇H₁₂ClNO₆S

7-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-oxo-2H-chromene-4-carboxylic acid

ethyl 7-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-oxo-2H-chromene-4-carboxylate

7-hydroxycoumarin-4-carboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1084-45-3 ETHYL 7-HYDROXYCOUMARIN-4-CARBOXYLATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send