33533-90-3

Basic information

• Product Name: 2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid
• Synonyms: 2-(4-Methoxy-β-oxophenethyl)benzoic acid;2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid;F-1271
• CAS NO: 33533-90-3
• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.28
• Mol File: 33533-90-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 478.2°Cat760mmHg
• Flash Point: 180.1°C
• Appearance: /
• Density: 1.238g/cm³
• Vapor Pressure: 5.94E-10mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: 2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid(33533-90-3)
• EPA Substance Registry System: 2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid(33533-90-3)

Safety Data

• Hazardous Substances Data: 33533-90-3(Hazardous Substances Data)

Usage

Chemical Class

Benzoic acid

Physical Form

White crystalline powder

Molecular Weight

284.31 g/mol

Applications

Pharmaceutical Industry: Used as a building block for synthesizing various drug molecules.
Organic Chemistry: Key intermediate in the production of organic compounds.
Research and Development: Utilized in laboratories for research purposes.

Functional Groups

Methoxy Group: Contributes to specific chemical and biological properties.
Carboxylic Acid Functionality: Imparts acidity and specific chemical reactivity.

Properties

Chemical: Reactivity due to carboxylic acid group.
Biological: Potential pharmaceutical activity.

Utility

Chemistry: Versatile in synthesis reactions.
Medicine: Potential for drug development.

Versatility

Suitable for various applications in chemistry and medicine due to its structural features.

InChI:InChI=1/C16H14O4/c1-20-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16(18)19/h2-9H,10H2,1H3,(H,18,19)

Upstream product

• 100-07-2 4-methoxy-benzoyl chloride 
• 89-51-0 Homophthalic acid 
• 88-65-3 2-bromobenzoic-acid 
• 7446-70-0 aluminium trichloride 
• 100-66-3 methoxybenzene 
• 703-59-3 homophthalic anhydride 
• 214550-36-4 (+/-)-3-(4'-methoxyphenyl)isochroman 
• 95280-73-2 methyl 2-(2-(4-methoxyphenyl)-2-oxoethyl) benzoate 
• 29910-92-7 3-(4-methoxyphenyl)-1H-isochromen-1-one 

Downstream Products

• 29910-92-7 3-(4-methoxyphenyl)-1H-isochromen-1-one 
• 95280-73-2 methyl 2-(2-(4-methoxyphenyl)-2-oxoethyl) benzoate 
• 80458-97-5 3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one 
• 37568-81-3 3,4-dihydro-3-(4-methoxyphenyl)-1H-2-benzopyran-1-one 

Relevant articles and documents

Synthesis of 3-aryl- and 3-aryl-3,4-dihydroisocoumarins

The condensation of homophthalic acid 6 with the appropriate acid chlorides 7a-c yield the respective isocoumarins 8a-c, which are converted to keto-acids 9a-c by alkaline hydrolysis. The 3,4-dihydroisocoumarins 12a-c are obtained by reduction of the keto

Reactions of carbonyl compounds in basic solutions. Part 21. The mechanisms of the alkaline hydrolysis of substituted methyl 2-(2-oxopropyl)- and 2-(2-oxo-2-phenylethyl)-benzoates and 2-(2-acetylphenyl)- and 2-(2-benzoylphenyl)-acetates

Rate coefficients have been measured for the alkaline hydrolysis of methyl 2-[2-oxo-2-(3- or 4-substituted phenyl)ethyl]benzoates, 2-[2-(3- or 4-substituted benzoyl)phenyl]acetates,2-(2-oxopropyl) and 2-(1,1-dimethyl-2- oxopropyl)benzoates, 2-(2-acetylphenyl)acetate and 2-(2-acetylphenyl)-2,2- dimethylacetates in 70% (v/v) dioxane-water at 30.0 °C. Those for the six parent esters were also measured at 45.0 and 60.0 °C and the enthalpies and entropies of activation have been evaluated. The relative rates of hydrolysis, activation parameters and substituent effects have been used to demonstrate neighbouring participation by the keto-carbonyl groups in the alkaline hydrolysis of the esters under study. For comparable systems, participation by six-membered ring intermediates appears somewhat less advantageous than five-membered.