Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
• CAS No.: 2881-83-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2918990090
• European Community (EC) Number: 220-733-1
• NSC Number: 69701
• UNII: 97LJ3S7ZBW
• DSSTox Substance ID: DTXSID5062683
• Nikkaji Number: J62.870K
• Wikidata: Q72475702
• Mol file: 2881-83-6.mol

Synonyms:2881-83-6;ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;Ethyl 4-methoxybenzoylacetate;Ethyl p-anisoylacetate;Ethyl (4-methoxybenzoyl)acetate;Ethyl 3-(4-methoxyphenyl)-3-oxopropionate;MOBEE;ethyl(4-methoxybenzoyl)acetate;Ethyl (p-methoxybenzoyl)acetate;4-Methoxybenzoylacetic Acid Ethyl Ester;(4-Methoxybenzoyl)acetic acid, ethyl ester;Benzenepropanoic acid, 4-methoxy-.beta.-oxo-, ethyl ester;Acetic acid, p-anisoyl-, ethyl ester;ethyl p-methoxybenzoylacetate;97LJ3S7ZBW;ethyl-4-methoxybenzoylacetate;2-(p-Methoxybenzoyl)acetic acid ethyl ester;EINECS 220-733-1;MFCD00449636;NSC 69701;NSC-69701;Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester;AI3-10534;3-(4-methoxy-phenyl)-3-oxo-propionic acid ethyl ester;Ethyl 3-(4-methoxyphenyl)-3-oxo-propanoate;UNII-97LJ3S7ZBW;etyl paramethoxybenzoylacetate;SCHEMBL314216;3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester;Ethyl-4-methoxy benzoyl acetate;DTXSID5062683;p-Anisoylacetic Acid Ethyl Ester;NSC69701;AB2847;AM9882;STL137729;4-methoxybenzoylacetic acid ethylester;AKOS000277785;AC-7799;CS-W008949;DS-16440;ethyl 3-(4-methoxyphenyl)3-oxopropanoate;SY052725;(4-Methoxybenzoyl)acetic Acid Ethyl Ester;ethyl 3-oxo-3-(4-methoxyphenyl)propanoate;ethyl-3-(4-methoxyphenyl)-3-oxopropanoate;FT-0658562;M1380;EN300-75644;A819612;W-109834;3-(4-methoxyphenyl)-3-oxo-propionic acid ethyl ester;F0001-0903;Z362636642;Ethyl 3-(4-methoxyphenyl)-3-oxopropionate, produced by Wacker Chemie AG, Burghausen, Germany, >=97.0% (GC)

Chemical Property of Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 330.003 °C at 760 mmHg
• PKA: 10.34±0.25(Predicted)
• Flash Point: 144.43 °C
• PSA: 52.60000
• Density: 1.123 g/cm³
• LogP: 1.83110
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: H2O: soluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

Ethyl (4-Methoxybenzoyl)acetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

There total 51 articles about Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate 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%

1-(4-methoxyphenyl)ethanone (100-06-1) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 4-methoxybenzoylacetate (2881-83-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; Reflux;

DOI:10.1002/ejoc.201700868

Reference yield: 94.0%

ethyl bromozincacetate;THF + 4-methoxybenzonitrile (874-90-8) → ethyl 4-methoxybenzoylacetate (2881-83-6)

Guidance literature:

ethyl bromozincacetate;THF; 4-methoxybenzonitrile; In tetrahydrofuran; at 0 - 25 ℃; for 92h;

With hydrogenchloride; In tetrahydrofuran; water; at 20 - 25 ℃; for 1.58333h;

Reference yield: 92.0%

1-bromo-4-methoxy-benzene (104-92-7) + dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + ethyl potassium malonate (6148-64-7) → ethyl 4-methoxybenzoylacetate (2881-83-6)

Guidance literature:

With 1H-imidazole; palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; magnesium chloride; In tetrahydrofuran; at 90 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.04.087

upstream raw materials:

ethyl 2-(4-methoxybenzoyl)-3-oxobutanoate

ethyl 4-methoxybenzoate

ethyl acetate

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

3-(4-methoxybenzoyl)-2H-1-benzopyran-2-one

8-methoxy-3-(4-methoxy-benzoyl)-coumarin

6-chloro-3-(4-methoxy-benzoyl)-coumarin

2-(4'-methoxybenzoyl)-3H-benzo[f]chromen-3-one