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3-Benzoylpropionic acid

Base Information Edit
  • Chemical Name:3-Benzoylpropionic acid
  • CAS No.:2051-95-8
  • Molecular Formula:C10H10O3
  • Molecular Weight:178.188
  • Hs Code.:29183000
  • European Community (EC) Number:218-135-0
  • NSC Number:229040,51010,2092
  • UNII:UV05GZ4D9Z
  • DSSTox Substance ID:DTXSID4062149
  • Nikkaji Number:J95.768B
  • Wikidata:Q27133281
  • Metabolomics Workbench ID:63381
  • ChEMBL ID:CHEMBL461681
  • Mol file:2051-95-8.mol
3-Benzoylpropionic acid

Synonyms:benzoylpropionic acid;beta-benzoylpropionic acid

Suppliers and Price of 3-Benzoylpropionic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 3-BenzoylpropanoicAcid
  • 25g
  • $ 75.00
  • TRC
  • 3-BenzoylpropanoicAcid
  • 50g
  • $ 85.00
  • TCI Chemical
  • 3-Benzoylpropionic Acid >98.0%(GC)(T)
  • 100g
  • $ 124.00
  • TCI Chemical
  • 3-Benzoylpropionic Acid >98.0%(GC)(T)
  • 25g
  • $ 44.00
  • TCI Chemical
  • 3-Benzoylpropionic Acid >98.0%(GC)(T)
  • 500g
  • $ 382.00
  • SynQuest Laboratories
  • 4-Oxo-4-phenylbutanoic acid
  • 100 g
  • $ 282.00
  • SynQuest Laboratories
  • 4-Oxo-4-phenylbutanoic acid
  • 25 g
  • $ 100.00
  • SynQuest Laboratories
  • 4-Oxo-4-phenylbutanoic acid
  • 5 g
  • $ 60.00
  • Sigma-Aldrich
  • Phenylbutyrate Related Compound A United States Pharmacopeia (USP) Reference Standard
  • 25mg
  • $ 1160.00
  • Sigma-Aldrich
  • 3-Benzoylpropionic acid 99%
  • 25g
  • $ 51.60
Total 82 raw suppliers
Chemical Property of 3-Benzoylpropionic acid Edit
Chemical Property:
  • Appearance/Colour:white to cream crystalline powder 
  • Vapor Pressure:8.39E-06mmHg at 25°C 
  • Melting Point:114-117 °C(lit.) 
  • Refractive Index:1.5370 (estimate) 
  • Boiling Point:359.7 °C at 760 mmHg 
  • PKA:4.53±0.17(Predicted) 
  • Flash Point:185.6 °C 
  • PSA:54.37000 
  • Density:1.199 g/cm3 
  • LogP:1.73410 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) 
  • XLogP3:1.3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:4
  • Exact Mass:178.062994177
  • Heavy Atom Count:13
  • Complexity:192
Purity/Quality:

97% *data from raw suppliers

3-BenzoylpropanoicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi,Xn 
  • Statements: 36/37/38-20/21/22 
  • Safety Statements: 26-36 
MSDS Files:
Useful:
  • Chemical Classes:Other Classes -> Organic Acids
  • Canonical SMILES:C1=CC=C(C=C1)C(=O)CCC(=O)O
  • Uses 3-Benzoylpropionic acid is a carboxylate compound and can be used as a fungicide and an oligonucleotide synthesis reagent.
Technology Process of 3-Benzoylpropionic acid

There total 162 articles about 3-Benzoylpropionic 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:
Guidance literature:
With hydrogen; palladium; In methanol; at 20 ℃; for 2h;
DOI:10.1016/j.tet.2004.11.080
Guidance literature:
With aluminum (III) chloride; at 35 - 80 ℃; for 3h; Reagent/catalyst;
Guidance literature:
ethyl 3-benzoylpropanoate; With sodium hydroxide; In methanol; at 20 ℃; for 3h;
With hydrogenchloride; In water;
DOI:10.1055/s-0034-1379504
Refernces Edit

CNS STIMULANT EFFECT OF N-ACYLDERVATIVES OF GLUTAMIC AND ASPARTIC ACIDS

10.1007/BF00766247

The research investigates the central nervous system (CNS) stimulant effects of N-acyl derivatives of glutamic and aspartic acids. The study explores how these derivatives interact with glutamate-recognizing sites in rat brain synaptic membranes and their convulsive activity when directly injected into the brain. Key chemicals used in the research include N-acyl derivatives of glutamic and aspartic acids (I-XVII), which were synthesized from various starting materials such as phenoxyacetic acid, benzoylpropionic acid, phenylbutyric acid, naphthylacetic acid, and diphenyl-ethoxyacetic acid. Other notable chemicals include glutamic diethyl ether, NMDA (N-methyl-D-aspartic acid), and kainate, which were used to test the convulsive and anticonvulsive activities of the synthesized compounds. The study aims to understand the relationship between the structure of these derivatives and their pharmacological activity, revealing that the presence and arrangement of polar and lipophilic groups in the acyl radical significantly influence their stimulant effects and potential as new pharmacologically active compounds targeting the excitatory amino acid system in the CNS.

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