3-(4-Carboxyphenyl)propionic acid

Base Information

• Chemical Name: 3-(4-Carboxyphenyl)propionic acid
• CAS No.: 38628-51-2
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 29173990
• European Community (EC) Number: 627-411-3
• DSSTox Substance ID: DTXSID40357540
• Nikkaji Number: J208.241A
• Wikidata: Q82137493
• Mol file: 38628-51-2.mol

Synonyms:38628-51-2;4-(2-carboxyethyl)benzoic Acid;3-(4-Carboxyphenyl)propionic acid;3-(4-CARBOXYPHENYL)PROPANOIC ACID;Benzenepropanoic acid, 4-carboxy-;MFCD00016560;4-Carboxyhydrocinnamic acid;4-(2-Carboxyethyl)benzoicacid;SCHEMBL264975;Carboxyphenylpropionicacid;985;DTXSID40357540;QSPCOYVUYYFWAU-UHFFFAOYSA-N;AKOS002182515;AC-5069;4-(3-hydroxy-3-oxopropyl)benzoic acid;3-(4-Carboxyphenyl)propionic acid, 97%;AS-60110;SY032042;CS-0003853;FT-0652741;EN300-146251;A824207;F9995-0938

Chemical Property of 3-(4-Carboxyphenyl)propionic acid

Chemical Property:

• Melting Point: 289-293 °C(lit.)
• Boiling Point: 406.1 °C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 213.6 °C
• PSA: 74.60000
• Density: 1.33g/cm³
• LogP: 1.40200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Carboxyphenyl)propionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)C(=O)O
• Uses: 3-(4-Carboxyphenyl)propionic acid may be used as a bridging ligand in the preparation of nickel(II) complexes, [Ni(4,4?-bpy)(H2O)4]n·n(cpp)·0.5nH2O and [Ni(cpp)(4,4?-bpy)(H2O)2]n [4, 4?-bpy = 4, 4?-bipyridine, H2cpp = 3-(4-carboxyphenyl)propionic acid].

Technology Process of 3-(4-Carboxyphenyl)propionic acid

There total 19 articles about 3-(4-Carboxyphenyl)propionic 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: 95.0%

trans-p-carboxycinnamic acid (56148-65-3) → 3-(4-carboxyphenyl)propionic acid (38628-51-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; sodium carbonate; In water; for 70h; under 2250.23 Torr;

DOI:10.1248/cpb.c13-00356

Reference yield: 85.0%

4-(2-carboxyvinyl)benzoic acid (19675-63-9,56148-65-3) → 3-(4-carboxyphenyl)propionic acid (38628-51-2)

Guidance literature:

With nickel; hydrazine hydrate; sodium hydroxide; In ethanol; water; at 90 ℃;

DOI:10.1002/chem.201200456

Reference yield:

carbon monoxide (201230-82-2) + 4-ethenylbenzoic acid (1075-49-6) → 3-(4-carboxyphenyl)propionic acid (38628-51-2) + (±)-4-(1-carboxyethyl)benzoic acid (67381-50-4)

Guidance literature:

With iron(III) paratoluenesulfonate; o-phenylenebis(diphenylphosphine); water; palladium dichloride; In 1,4-dioxane; at 120 ℃; for 12h; under 7500.75 Torr; Overall yield = 94 percentChromat.; Sealed tube;

upstream raw materials:

3-(4-Methylphenyl)propanoic acid

3-(p-isopropylphenyl)propionic acid

(4-cyanophenyl)propionic acid

4-(2-carboxyvinyl)benzoic acid

Downstream raw materials:

Indan-1-one-6-carboxylic acid

3-(4-carboxy-2-nitro-phenyl)-propionic acid

3-(4-(ethoxycarbonyl)phenyl)propanoic acid ethyl ester

4-(2-Isopropoxycarbonyl-ethyl)-benzoic acid isopropyl ester