(4-CARBOXYPHENYL)ACETONE

Base Information

• Chemical Name: (4-CARBOXYPHENYL)ACETONE
• CAS No.: 15482-54-9
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Mol file: 15482-54-9.mol

Synonyms:Benzoicacid, p-acetonyl- (8CI);4-(2-Oxopropyl)benzoic acid;

Chemical Property of (4-CARBOXYPHENYL)ACETONE

Chemical Property:

• Vapor Pressure: 6.63E-05mmHg at 25°C
• Melting Point: 196.5-197.0 °C
• Refractive Index: 1.551
• Boiling Point: 330.5 °C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 167.9 °C
• PSA: 54.37000
• Density: 1.2g/cm³
• LogP: 1.51630
• Storage Temp.: 2-8°C

Purity/Quality:

98.5% ^*data from raw suppliers

4-(2-Oxopropyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-CARBOXYPHENYL)ACETONE

There total 6 articles about (4-CARBOXYPHENYL)ACETONE 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: 82.0%

4-iodobenzoic acid (619-58-9) + acetylacetone (123-54-6,81235-32-7) → p-(2-oxopropyl)-benzoic acid (15482-54-9)

Guidance literature:

With copper(l) iodide; potassium phosphate tribasic trihydrate; In dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja1033777

Reference yield: 44.0%

4-bromomethylbenzoic Acid (6232-88-8) + acetyl chloride (75-36-5) → p-(2-oxopropyl)-benzoic acid (15482-54-9)

Guidance literature:

With nickel; In 1,2-dimethoxyethane; at 85 ℃; for 0.25h;

DOI:10.1021/jo00209a006

Reference yield: 41.0%

→ p-(2-oxopropyl)-benzoic acid (15482-54-9)

Guidance literature:

With [2,2]bipyridinyl; copper dichloride; In acetonitrile; for 24h; Inert atmosphere; Irradiation;

upstream raw materials:

4-bromomethylbenzoic Acid

acetyl chloride

4-Bromobenzoic acid

acetone

Downstream raw materials:

1-(4-carbomethoxyphenyl)-propan-2-one

C₃₀H₂₅N₃O₃

1-[4-(2-thioxo-thiazolidine-3-carbonyl)-phenyl]-propan-2-one

4-acetonylbenzoyl chloride

Refernces

• 1、 -. "Aryl C-F bond functionalization preparation method". Paragraph 0052; 0089-0093; 0126-0129. . Retrieved 2021/09/29.
• 2、 Inaba, Shin-ichi,Rieke, Reuben D.. "Metallic Nickel-Mediated Synthesis of Ketones by the Reaction of Benzylic, Allylic, Vinylic, and Pentafluorophenyl Halides with Acid Halides". . p. 1373 - 1381. Retrieved 2007/10/02.