Ethyl 3-(p-tolyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(p-tolyl)propanoate
• CAS No.: 7116-41-8
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30570044
• Nikkaji Number: J2.418.979A
• Wikidata: Q82457348
• Mol file: 7116-41-8.mol

Synonyms:Ethyl 3-(p-tolyl)propanoate;7116-41-8;ETHYL 3-(4-METHYLPHENYL)PROPANOATE;3-P-TOLYL-PROPIONIC ACID ETHYL ESTER;4-Methyl-benzenepropanoic acid ethyl ester;Benzenepropanoic acid, 4-methyl-, ethyl ester;Ethyl3-(p-tolyl)propanoate;SCHEMBL363982;DTXSID30570044;MFCD07772953;AKOS009166860;CS-0455126;E83933

Chemical Property of Ethyl 3-(p-tolyl)propanoate

Chemical Property:

• Vapor Pressure: 0.00848mmHg at 25°C
• Boiling Point: 266.8°C at 760 mmHg
• Flash Point: 107.7°C
• PSA: 26.30000
• Density: 1.003g/cm³
• LogP: 2.49070
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-(p-tolyl)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)C

Technology Process of Ethyl 3-(p-tolyl)propanoate

There total 17 articles about Ethyl 3-(p-tolyl)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: 90.0%

ethyl p-methylcinnamate (20511-20-0) → ethyl 3-(4-methylphenyl)propanoate (7116-41-8)

Guidance literature:

With bismuth(III) chloride; sodium tetrahydroborate; In ethanol; at 15 ℃; for 3h;

DOI:10.1080/00397919508013861

Reference yield: 90.0%

ethanol (64-17-5) + 3-(4-Methylphenyl)propanoic acid (1505-50-6) → ethyl 3-(4-methylphenyl)propanoate (7116-41-8)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1021/acsmedchemlett.8b00551

Reference yield: 84.0%

acrylaldehyde diethyl acetal (3054-95-3) + 4-tolyl iodide (624-31-7) → ethyl 3-(4-methylphenyl)propanoate (7116-41-8)

Guidance literature:

With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

DOI:10.1055/s-2003-39900

upstream raw materials:

ethanol

3-(4-Methylphenyl)propanoic acid

ethyl p-methylcinnamate

ethyl (E)-3-(4-methylphenyl)acrylate

Downstream raw materials:

3-(4-Methylphenyl)propanoic acid

5-(4-methyl-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

3-(p-tolyl)propionyl chloride

ethyl 3-[4-(bromomethyl)phenyl]propanoate