Methyl 3-(2-methoxyphenyl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 3-(2-methoxyphenyl)-3-oxopropanoate
• CAS No.: 54177-02-5
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50374884
• Wikidata: Q82163460
• Mol file: 54177-02-5.mol

Synonyms:54177-02-5;methyl 3-(2-methoxyphenyl)-3-oxopropanoate;3-(2-methoxy-phenyl)-3-oxo-propionic acid methyl ester;methyl 2-methoxybenzoylacetate;MFCD03424780;3-(2-Methoxyphenyl)-3-oxo-propionic acid methyl ester;3-(2-methoxyphenyl)-3-oxopropionic acid methyl ester;Methyl-3-(methoxyphenyl)-3-oxopropionate;Methyl 3-(2-Methoxyphenyl)-3-oxopropionate;SCHEMBL447573;DTXSID50374884;OEIWRCBBMGTEMA-UHFFFAOYSA-N;AB1488;AKOS000271394;SB37590;AS-44591;SY122684;methyl3-(2-methoxyphenyl)-3-oxopropanoate;CS-0150317;FT-0719530;A830013;3-(2-methoxyphenyl)-3-oxopropanoic acid methyl ester;methyl 3-(2-methoxyphenyl)-3-oxidanylidene-propanoate

Chemical Property of Methyl 3-(2-methoxyphenyl)-3-oxopropanoate

Chemical Property:

• Boiling Point: 291.7 °C at 760 mmHg
• PKA: 10.22±0.46(Predicted)
• Flash Point: 125.4 °C
• PSA: 52.60000
• Density: 1.147 g/cm³
• LogP: 1.44100
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl3-(2-Methoxyphenyl)-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)CC(=O)OC
• Uses: Methyl 3-(2-Methoxyphenyl)-3-oxopropanoate is a reactant that has been used in the synthesis of indanonecarboxylates in a catalytic Nazarov reaction.

Technology Process of Methyl 3-(2-methoxyphenyl)-3-oxopropanoate

There total 5 articles about Methyl 3-(2-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: 98.0%

2-Methoxyacetophenone (579-74-8) + carbonic acid dimethyl ester (616-38-6) → methyl 2-methoxybenzoylacetate (54177-02-5)

Guidance literature:

With sodium hydride; In toluene; mineral oil; for 0.5h; Reflux;

DOI:10.1055/s-0035-1561283

Reference yield: 91.7%

→ methyl 2-methoxybenzoylacetate (54177-02-5)

Guidance literature:

Reference yield:

2-Methoxyacetophenone (579-74-8) → methyl 2-methoxybenzoylacetate (54177-02-5)

Guidance literature:

With sodium methylate; In carbonic acid dimethyl ester;

upstream raw materials:

acetic acid methyl ester

2-methoxybenzoic acid methyl ester

2-Methoxyacetophenone

carbonic acid dimethyl ester

Downstream raw materials:

3-amino-3-(ortho-methoxyphenyl)-acrylic acid methyl ester

C₂₂H₂₄N₄O₄

C₂₂H₂₃N₃O₅

C₁₁H₁₂N₂O₂

Refernces

• 1、 Sun, Desong,Zhao, Xiaoyuan,Zhang, Bobo,Cong, Ying,Wan, Xintong,Bao, Mingmai,Zhao, Xue,Li, Bing,Zhang-Negrerie, Daisy,Du, Yunfei. "Synthesis of Spirofurooxindoles via Phenyliodine(III) Bis(trifluoroacetate) (PIFA)-Mediated Cascade Oxidative C?O and C?C Bond Formation". supporting information. p. 1634 - 1638. Retrieved 2018/03/21.
• 2、 Pí?a, Ond?ej,Rádl, Stanislav. "Synthesis of 4-Quinolones: N,O-Bis(trimethylsilyl)acetamide-Mediated Cyclization with Cleavage of Aromatic C-O Bond". . p. 2336 - 2350. Retrieved 2016/05/19.