4-Acetylbenzoic acid

4-Acetylbenzoic acid
  • CAS No.:586-89-0

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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4-Acetylbenzoic acid Basic information
Uses
Product Name:4-Acetylbenzoic acid
Synonyms:Benzoic acid, 4-acetyl-;4-Acetylbenzoic acid;Aectophenone-4-carboxylic acid;Aectophenone-4-carboxylic acid;4-Acetylbenzoic acid, 98+%;4-(1-Oxoethyl)benzoic acid;p-Carboxyacetophenone;4-acetylbenzonic acid;4-Acetylbenzoci acid
CAS:586-89-0
MF:C9H8O3
MW:164.16
EINECS:209-588-5
Product Categories:intermediate;Benzoic Acids (Building Blocks for Liquid Crystals);Aromatic Acetophenones & Derivatives (substituted);Bifunctional Compounds (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Drug Intermediates;Benzoic acid
Mol File:586-89-0.mol
4-Acetylbenzoic acid Chemical Properties
Melting point 208-210 °C(lit.)
Boiling point 251.61°C (rough estimate)
density 1.2132 (rough estimate)
refractive index 1.5380 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
pkapK1: 3.70 (25°C)
form Crystals or Crystalline Powder
color White
Water Solubility soluble
BRN 2207355
InChIKeyQBHDSQZASIBAAI-UHFFFAOYSA-N
CAS DataBase Reference586-89-0(CAS DataBase Reference)
NIST Chemistry Reference4-Acetylbenzoic acid(586-89-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38-37/38-36
Safety Statements 37/39-26-36-24/25
WGK Germany 3
HS Code 29183000
MSDS Information
ProviderLanguage
Acetophenone-4-carboxylic acid English
ACROS English
SigmaAldrich English
ALFA English
4-Acetylbenzoic acid Usage And Synthesis
Uses4-Acetylbenzoic Acid is an intermediate used to prepare Curcumin Analogs with anti-oxidant activities. It is also used in the synthesis of quinuclidine benzamides as agonists of α7 nicotinic acetylcholine receptors.
Chemical PropertiesWhite to light yellow crystal powder
Uses4-Acetylbenzoic acid was used in the preparation of an ester-derivative of paclitaxel.
Synthesis Reference(s)Synthesis, p. 715, 1974 DOI: 10.1055/s-1974-23412
Purification Methods4-AcDissolve the acid in 5% aqueous NaOH, extract it with Et2O, and acidify the aqueous solution. Collect the precipitate, and recrystallise it from boiling H2O (100 parts) using decolorising charcoal [Pearson et al. J Org Chem 24 504 1959, Pearson et al. J Chem Soc 265 1957, Detweiler & Amstutz J Am Chem Soc 72 2882 1950, Bordwell & Cooper J Am Chem Soc 74 1058 1952]. [Beilstein 10 IV 2769.]

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