3-(4-Formylphenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Formylphenyl)propanoic acid
• CAS No.: 34961-64-3
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• European Community (EC) Number: 688-352-7
• DSSTox Substance ID: DTXSID90600356
• Nikkaji Number: J2.123.012J
• Wikidata: Q82496387
• Mol file: 34961-64-3.mol

Synonyms:3-(4-FORMYLPHENYL)PROPANOIC ACID;34961-64-3;3-(4-Formyl-phenyl)-propionic acid;MFCD08234824;4-Formylbenzenepropanoic acid;3-(4-FORMYLPHENYL)PROPIONIC ACID;3-(4-Formylphenyl)propanoicacid;4-formyldihydrocinnamic acid;SCHEMBL643711;DTXSID90600356;NRCCSDVEUWXOMG-UHFFFAOYSA-N;STL302078;AKOS006228733;MB05763;AS-61052;SY205217;DB-050697;VU0549351-1;A12447;EN300-234807;A846871;J-510712;F9995-0363;Z1954800611;3-(4-Formylphenyl)propanoic acid;3-(4-Formylphenyl)propionic acid

Chemical Property of 3-(4-Formylphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: ca 136℃
• Refractive Index: 1.587
• Boiling Point: 356.916 °C at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 183.847 °C
• PSA: 54.37000
• Density: 1.228 g/cm³
• LogP: 1.51630
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

3-(4-formylphenyl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)C=O
• Uses: 3-(4-Formylphenyl)propionic acid is used as an intermediate in the manufacture of pharmaceuticals.

Technology Process of 3-(4-Formylphenyl)propanoic acid

There total 19 articles about 3-(4-Formylphenyl)propanoic acid 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: 100.0%

3-(4-formyl-phenyl)-propionic acid ethyl ester (445483-72-7) → 4-formyldihydrocinnamic acid (34961-64-3)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; at 50 ℃; for 3h;

DOI:10.1016/j.bmcl.2009.02.029

Reference yield: 95.0%

4-formylphenylboronic acid, (87199-17-5) + acrylic acid (79-10-7) → 4-formyldihydrocinnamic acid (34961-64-3)

Guidance literature:

With [Rh(OH)(cod)]2; water; at 75 ℃; for 16h; Inert atmosphere;

DOI:10.1055/s-0030-1260319

Reference yield: 84.0%

3-[4-(hydroxymethyl)phenyl]propanoic acid (56703-34-5) → 4-formyldihydrocinnamic acid (34961-64-3)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 35 ℃; for 18h;

upstream raw materials:

4-formylcinnamic acid

(E)-p-formylcinnamic acid

2-vinyl-1,3-dioxolane

4-bromo-benzaldehyde

Downstream raw materials:

3-[4-((E)-2-Nitro-vinyl)-phenyl]-propionic acid

4-{3-oxo-3-[4-(1-trityl-1H-imidazol-4-ylmethyl)-piperidin-1-yl]-propyl}-benzaldehyde

3-[4-({4-[(benzyloxy)carbonyl]-3-[(cyclopentyloxy)carbonyl]piperazin-1-yl}methyl)phenyl]propanoic acid

3-{4-[3-oxo-3-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propenyl]-phenyl}-propionic acid