Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate

Base Information

• Chemical Name: Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate
• CAS No.: 5969-19-7
• Molecular Formula: C16H15ClN2O2S
• Molecular Weight: 276.289
• Hs Code.: 2932209090
• NSC Number: 688809,115527
• DSSTox Substance ID: DTXSID00975087
• Nikkaji Number: J2.115.585C
• Wikidata: Q82959584
• ChEMBL ID: CHEMBL1330661
• Mol file: 5969-19-7.mol

Synonyms:Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate;5969-19-7;ethyl 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoate;MLS000062603;NSC688809;SMR000071139;NSC115527;Oprea1_256665;Oprea1_734115;SCHEMBL2554744;CHEMBL1330661;BDBM59370;cid_5351036;DTXSID00975087;JFRVIXNRVMZXFB-UHFFFAOYSA-N;HMS2387J17;MFCD02331313;STK920967;AKOS001655627;NSC-115527;NSC-688809;NCI60_000346;NS-04508;EN300-303000;SR-01000480099;SR-01000480099-1;ethyl 3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoate;Ethyl 7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-propanoate;ethyl-3-(7-hydroxy-4-methyl-2-oxo-2h-3-chromenyl)propanoate;Ethyl3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate;Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoate;2-Oxo-4-methyl-7-hydroxy-2H-1-benzopyran-3-propionic acid ethyl ester;3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester;3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid ethyl ester;3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid ethyl ester;ethyl 3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoate

Chemical Property of Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 76.74000
• Density: 1.368g/cm³
• LogP: 2.30270
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 426

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Technology Process of Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate

There total 8 articles about Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate 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: 91.0%

diethyl 2-acetylglutarate (1501-06-0) + recorcinol (108-46-3) → 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propionic acid ethyl ester (5969-19-7)

Guidance literature:

With sulfuric acid; at 20 ℃; for 24h;

DOI:10.1002/anie.201600190

Reference yield: 84.0%

3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride (936739-52-5) + ethanol (64-17-5) → 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propionic acid ethyl ester (5969-19-7)

Guidance literature:

for 2h; Heating;

DOI:10.1134/S1070428006070244

Reference yield:

diethyl 2-acetylglutarate (1501-06-0) + recorcinol (108-46-3) → 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propionic acid (5852-06-2) + 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propionic acid ethyl ester (5969-19-7)

Guidance literature:

With sulfuric acid;

upstream raw materials:

diethyl 2-acetylglutarate

recorcinol

3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl chloride

ethanol

Downstream raw materials:

3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propionic acid

3-(7-methoxy-4-methyl-2-oxo-2H-benzopyran-3-yl)propionic acid