38430-55-6

Basic information

• Product Name: ETHYL 4-ACETYLBENZOATE
• Synonyms: RARECHEM AL BI 0879;4-ACETYLBENZOIC ACID ETHYL ESTER;ETHYL 4-ACETYLBENZOATE;ETHYL P-ACETYLBENZOATE;4'-(Ethoxycarbonyl)acetophenone;p-Acetylbenzoic acid ethyl ester;Ethyl 4-acetylbenzoate,99%;Benzoic acid,4-acetyl-, ethyl ester
• CAS NO: 38430-55-6
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21
• Product Categories: Aromatic Esters;C10 to C11;Carbonyl Compounds;Esters
• Mol File: 38430-55-6.mol
• Article Data: 45

Chemical Properties

• Melting Point: 55-57 °C(lit.)
• Boiling Point: 310 °C at 760 mmHg
• Flash Point: 135.8 °C
• Appearance: White to beige/Crystalline Powder
• Density: 1.096 g/cm³
• Vapor Pressure: 0.000617mmHg at 25°C
• Refractive Index: 1.512
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: ETHYL 4-ACETYLBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-ACETYLBENZOATE(38430-55-6)
• EPA Substance Registry System: ETHYL 4-ACETYLBENZOATE(38430-55-6)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 38430-55-6(Hazardous Substances Data)

Usage

Chemical Properties

White to beige crystalline powder

Uses

Ethyl 4-acetylbenzoate is used as a reagent to synthesize pyrazoles (e.g. 1H-Pyrazole [P842195]). Ethyl 4-acetylbenzoate is also used as a reagent to synthesize chiral hydrazines (e.g. (S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde [B288000]) from the catalytic enantioselective hydrogenation of N-alkoxycarbonyl hydrazones.

InChI:InChI=1/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3

Upstream product

• 64-17-5 ethanol 
• 13329-40-3 4-Iodoacetophenone 
• 201230-82-2 carbon monoxide 
• 586-89-0 4-acetyl-benzoic acid 
• 64101-67-3 4-acetylphenyl p-toluenesulfonate 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 108-24-7 acetic anhydride 
• 157729-41-4 ethyl-4-(2,2-dibromoethenyl)benzoate 
• 431-03-8 dimethylglyoxal 
• 94-09-7 p-aminoethylbenzoate 
• 92722-80-0 4-isopropenylbenzoic acid ethyl ester 
• 13939-06-5 molybdenum hexacarbonyl 
• 99-90-1 para-bromoacetophenone 
• 99-91-2 para-chloroacetophenone 

Downstream Products

• 61235-19-6 5-(4-Aethoxycarbonyl-phenyl)-5-hydroxy-4-methyl-hexanon-⁽³⁾ 
• 28357-95-1 1-(4-carboxyphenyl)ethylamine 
• 1346995-90-1 C₁₂H₁₅NO₃ 
• 1346995-89-8 N-(3-hydroxypropyl)acetamide 
• 1402390-80-0 ethyl 4-(2-fluoro-1-(isopropylimino)ethyl)benzoate 
• 1402390-79-7 ethyl 4-(1-(isopropylimino)ethyl)benzoate 
• 1409939-55-4 (E)-ethyl 4-[(p-toluenesulfonylimino)ethyl]benzoate 
• 1409939-58-7 ethyl 4-[1-(4-Toluenesulfonamido)ethyl]benzoate 
• 1622917-95-6 (4-[2-({2-[(1-carboxyheptyl)sulfanyl]-6-chloropyrimidin-4-yl}amino)-1,3-thiazol-4-yl]benzoic acid) 
• 651042-69-2 ethyl 4-(2-amino-1,3-thiazol-4-yl)benzoate 
• 434941-61-4 3-dimethylamino-1-(4-ethoxycarbonylphenyl)-2-propen-1-one 
• 81590-55-8 ethyl 4-(2-bromoacetyl)benzoate 
• 870822-87-0 tert-butyl N'-[1-[4-(ethoxycarbonyl)phenyl]ethylidene]hydrazinecarboxylate 

Relevant articles and documents

Alkoxycarbonylation reactions performed using near-stoichiometric quantities of CO

Alkoxycarbonylation reactions using near-stoichiometric quantities of carbon monoxide gas are presented. The reactions are performed using microwave heating which, as well as the inherent advantages of rate acceleration, offers a convenient method for loading vessels with gases. Georg Thieme Verlag Stuttgart.

Application of a batch microwave unit for scale-up of alkoxycarbonylation reactions using a near-stoichiometric loading of carbon monoxide

The ethoxycarbonylation of iodobenzene was performed on the 1 mol scale in batch mode using microwave heating. The reaction was performed using both an excess and a near stoichiometric loading of carbon monoxide, comparable yields being obtained. Six different alkoxycarbonylation reactions were then performed simultaneously on the 50 mmol scale using a near-stoichiometric loading of carbon monoxide with excellent conversions in each case.

Discovery of 1-Amino-1 H-imidazole-5-carboxamide Derivatives as Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitors

Bruton's tyrosine kinase (BTK) inhibitors suppressing the aberrant activation of BTK have led to a paradigm shift in the therapy of B-cell malignancies. However, there is an urgent need to discover more selective covalent BTK inhibitors owing to the off-t

Metal- And additive-free C-H oxygenation of alkylarenes by visible-light photoredox catalysis

A metal- and additive-free methodology for the highly selective, photocatalyzed C-H oxygenation of alkylarenes under air to the corresponding carbonyls is presented. The process is catalyzed by an imide-acridinium that forms an extremely strong photooxidant upon visible light irradiation, which is able to activate inert alkylarenes such as toluene. Hence, this is an easy to perform, sustainable and environmentally friendly oxidation that provides valuable carbonyls from abundant, readily available compounds.