2-Propionylbenzoic acid

Base Information

• Chemical Name: 2-Propionylbenzoic acid
• CAS No.: 2360-45-4
• Molecular Formula: C10H10 O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• European Community (EC) Number: 219-106-5
• DSSTox Substance ID: DTXSID00178253
• Nikkaji Number: J213.215J
• Wikidata: Q83048633
• Mol file: 2360-45-4.mol

Synonyms:2-Propionylbenzoic acid;2-propanoylbenzoic acid;2360-45-4;2-(1-Oxopropyl)benzoic acid;Benzoic acid, 2-(1-oxopropyl)-;EINECS 219-106-5;propiophenone-2-carboxylic acid;2-Propionylbenzoesaure;2-Propionylbenzoicacid;o-propionyl-benzoic acid;2-Propionylbenzoic acid #;3-Ethyl-3-hydroxyphthalide;2-(1'-oxopropyl)benzoic acid;SCHEMBL4249140;DTXSID00178253;MFCD00053311;AKOS006272651;CS-0323927;FT-0615651

Chemical Property of 2-Propionylbenzoic acid

Chemical Property:

• Vapor Pressure: 7.01E-05mmHg at 25°C
• Melting Point: 93 °C
• Boiling Point: 329.7°Cat760mmHg
• PKA: 3.37±0.36(Predicted)
• Flash Point: 167.4°C
• PSA: 54.37000
• Density: 1.187g/cm³
• LogP: 1.97750
• Storage Temp.: 4°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

2-PropionylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CC=C1C(=O)O
• Uses: 2-Propionylbenzoic Acid can be used as Phthalazinone Bradykinin B1 receptor antagonists.

Technology Process of 2-Propionylbenzoic acid

There total 16 articles about 2-Propionylbenzoic 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: 29.0%

phthalic anhydride (85-44-9) + ethylmagnesium bromide (925-90-6) → 2-propanoylbenzoic acid (2360-45-4)

Guidance literature:

With copper(I) bromide; In tetrahydrofuran; at -20 - 20 ℃;

DOI:10.1002/anie.201700889

Reference yield:

(2-propionyl-phenyl)-glyoxylic acid (872305-91-4) → 2-propanoylbenzoic acid (2360-45-4) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1007/BF03263134

Reference yield:

phthalic anhydride (85-44-9) → 2-propanoylbenzoic acid (2360-45-4) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With hydrogenchloride; ethyl(triethylsiloxy)cadmium; ethyl(triethylsiloxy)zinc; In toluene; at 50 ℃; for 4h; Product distribution; 60 deg C, 7 h (with Et₃SiOCdEt);

upstream raw materials:

phthalic anhydride

diethylcadmium

propionic acid anhydride

(2-propionyl-phenyl)-glyoxylic acid

Downstream raw materials:

4-ethyl-1(2H)-phthalazinone

2-(2-bromo-propionyl)-benzoic acid

2-(2,2-dibromo-propionyl)-benzoic acid