Ethyl 3-(4-formylphenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-formylphenyl)propanoate
• CAS No.: 445483-72-7
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID30479083
• Nikkaji Number: J2.955.039E
• Wikidata: Q82312965
• Mol file: 445483-72-7.mol

Synonyms:ETHYL 3-(4-FORMYLPHENYL)PROPANOATE;445483-72-7;Benzenepropanoic acid, 4-formyl-, ethyl ester;SCHEMBL349384;DTXSID30479083;KMLCMKXDMYDBMX-UHFFFAOYSA-N;MFCD08234825;MB05765;AM806703;FT-0766502;3-(4-formyl-phenyl)-propionic acid ethyl ester;A1-45957

Chemical Property of Ethyl 3-(4-formylphenyl)propanoate

Chemical Property:

• Boiling Point: 317.9±17.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.103±0.06 g/cm3(Predicted)
• LogP: 1.99480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

95% ^*data from raw suppliers

ethyl3-(4-formylphenyl)propanoate ^*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=O

Technology Process of Ethyl 3-(4-formylphenyl)propanoate

There total 7 articles about Ethyl 3-(4-formylphenyl)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: 86.0%

Ethyl 3-bromopropionate (539-74-2) + 4-bromo-benzaldehyde (1122-91-4) → 3-(4-formyl-phenyl)-propionic acid ethyl ester (445483-72-7)

Guidance literature:

Ethyl 3-bromopropionate; With indium; copper(l) iodide; lithium chloride; In tetrahydrofuran; at 65 ℃; for 12h;

4-bromo-benzaldehyde; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl acetamide; at 90 ℃; for 24h;

DOI:10.1039/c0cc05597b

Reference yield: 84.0%

acrylaldehyde diethyl acetal (3054-95-3) + 4-bromo-benzaldehyde (1122-91-4) → 3-(4-formyl-phenyl)-propionic acid ethyl ester (445483-72-7)

Guidance literature:

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

DOI:10.1016/j.bmcl.2009.02.029

Reference yield: 71.0%

3-(4-bromo-phenyl)-propionic acid ethyl ester (40640-98-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-formyl-phenyl)-propionic acid ethyl ester (445483-72-7)

Guidance literature:

3-(4-bromo-phenyl)-propionic acid ethyl ester; With n-butyllithium; 2,4,6-trimethylphenyl bromide; In tetrahydrofuran;

With n-butyllithium; In tetrahydrofuran; n-heptane;

N,N-dimethyl-formamide; In tetrahydrofuran; n-heptane;

DOI:10.1055/s-2002-22727

upstream raw materials:

3-(4-bromo-phenyl)-propionic acid ethyl ester

N,N-dimethyl-formamide

acrylaldehyde diethyl acetal

4-bromo-benzaldehyde

Downstream raw materials:

p-(3-hydroxypropyl)-benzaldehyde

4-formyldihydrocinnamic acid

3-[4-(5,7-dimethoxy-4-oxo-3,4-dihydro-quinazolin-2-yl)-phenyl]-propionic acid ethyl ester

ethyl 3-(4-(2,2-dicyanovinyl)phenyl)propanoate