Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
• CAS No.: 5852-00-6
• Molecular Formula: C₁₄H₁₄O₆
• Molecular Weight: 278.262
• NSC Number: 115550
• DSSTox Substance ID: DTXSID50419067
• Wikidata: Q27185941
• ChEMBL ID: CHEMBL1422788
• Mol file: 5852-00-6.mol

Synonyms:ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate;5852-00-6;NSC115550;Oprea1_166167;MLS000055572;CHEMBL1422788;DTXSID50419067;CHEBI:107616;HMS2443P15;AKOS001035324;NSC-115550;SMR000060092;Q27185941;Z56764230;ethyl 2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate;2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)acetic acid ethyl ester

Chemical Property of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate

Chemical Property:

• Vapor Pressure: 2.21E-11mmHg at 25°C
• Boiling Point: 518.8°C at 760 mmHg
• Flash Point: 199.1°C
• Density: 1.364g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 278.07903816
• Heavy Atom Count: 20
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C

Technology Process of Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate

There total 1 articles about Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate 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:

3,5-dihydroxyphenol (108-73-6) + diethyl acetylsuccinate (1115-30-6) → (5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester (5852-00-6)

Guidance literature:

With trichlorophosphate;

Reference yield: 25.6%

(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester (5852-00-6) → (5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid (5864-00-6)

Guidance literature:

With potassium carbonate; In ethanol; water; for 3h; Reflux;

Reference yield:

(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester (5852-00-6) + acetic anhydride (108-24-7) → (5,7-diacetoxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester (114067-19-5)

Guidance literature:

With pyridine;

DOI:10.1002/mrc.1260260515

upstream raw materials:

3,5-dihydroxyphenol

diethyl acetylsuccinate

Downstream raw materials:

(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid

(5,7-diacetoxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester