Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate

Base Information

• Chemical Name: Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
• CAS No.: 2954-68-9
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90440411
• Wikidata: Q82256715
• Mol file: 2954-68-9.mol

Synonyms:ETHYL 4-(4-METHOXY-3-METHYLPHENYL)-4-OXOBUTANOATE;2954-68-9;MFCD09801995;SCHEMBL6085421;DTXSID90440411;NXMOOZMLRAMUMN-UHFFFAOYSA-N;CAA95468;AKOS011412086;ETHYL4-(4-METHOXY-3-METHYLPHENYL)-4-OXOBUTANOATE;4-(4-Methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester

Chemical Property of Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 381.711°C at 760 mmHg
• Flash Point: 168.284°C
• PSA: 52.60000
• Density: 1.085g/cm³
• LogP: 2.52960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-(4-Methoxy-3-methylphenyl)-4-oxobutanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)C1=CC(=C(C=C1)OC)C
• Uses: Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate is used in the synthesis of two antiproliferative calamenene-type sesquiterpenoids (tavinin A (I) and epi-tavinin A (II)) derived from Sterculia tavia plant.

Technology Process of Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate

There total 5 articles about Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate 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:

4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid (33446-14-9) → 4-(4-methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester (2954-68-9)

Guidance literature:

With sodium hydroxide; sulfuric acid; In ethanol; water;

Reference yield:

ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) + 2-methylmethoxybenzene (578-58-5) → 4-(4-methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester (2954-68-9)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1021/jm00016a020

Reference yield:

2-methylmethoxybenzene (578-58-5) → 4-(4-methoxy-3-methylphenyl)-4-oxo-butyric acid ethyl ester (2954-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / nitrobenzene

2: H₂SO₄

With aluminium trichloride; sulfuric acid; In nitrobenzene;

DOI:10.1039/jr9650003319

upstream raw materials:

ethanol

4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid

ethyl 3-(chloroformyl)propionate

2-methylmethoxybenzene

Downstream raw materials:

4-(4-methoxy-3-methyl-phenyl)-valeric acid

4-Hydroxy-4-(4-methoxy-3-methylphenyl)-5-methyl-hexanoic Acid Lactone

4-(4-methoxy-3-methylphenyl)-4-oxobutyric acid

7-methoxy-6-methyl-1-tetralone