101-92-8

Basic information

• Product Name: 4'-Chloroacetoacetanilide
• Synonyms: LABOTEST-BB LT01274571;4'-CHLOROACETACETANILIDE;4'-CHLOROACETOACETANILIDE;ACETOACET-P-CHLORANILIDE;ACETOACET-P-CHLOROANILIDE;Acetoacet-d-Chloroanilide;ACETOACET-P-CHLOROAMILIDE;p-Acetoacetochloroanilide
• CAS NO: 101-92-8
• Molecular Formula: C₁₀H₁₀ClNO₂
• Molecular Weight: 211.64
• EINECS: 202-989-6
• Product Categories: Amides;Carbonyl Compounds;Organic Building Blocks;Building Blocks;C8 to C20+;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 101-92-8.mol
• Article Data: 40

Chemical Properties

• Melting Point: 131-134 °C(lit.)
• Boiling Point: 303°C (rough estimate)
• Flash Point: 196 °C
• Appearance: Off-white to beige/Crystalline Powder
• Density: 1.44 g/cm3 (20℃)
• Vapor Density: 7.31
• Refractive Index: 1.5388 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: acetone: soluble25mg/mL, clear, colorless to light yellow
• PKA: 11.00±0.46(Predicted)
• CAS DataBase Reference: 4'-Chloroacetoacetanilide(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-Chloroacetoacetanilide(101-92-8)
• EPA Substance Registry System: 4'-Chloroacetoacetanilide(101-92-8)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 1
• RTECS: AK4375000
• Hazardous Substances Data: 101-92-8(Hazardous Substances Data)

Usage

Description

4'-Chloroacetoacetanilide is an organic compound that serves as an important intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is characterized by its off-white to beige crystalline powder form.

Uses

Used in Pharmaceutical Industry:
4'-Chloroacetoacetanilide is used as a key intermediate in the synthesis of drugs, particularly for the development of novel therapeutic agents. Its chemical properties allow for versatile reactions and modifications, making it a valuable component in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 4'-Chloroacetoacetanilide is utilized as a precursor for the production of various pesticides and insecticides. Its reactivity and structural features contribute to the creation of effective compounds for agricultural applications.
Used in Chemical Research:
4'-Chloroacetoacetanilide is employed in academic and industrial research settings for the investigation of novel chemical reactions and the development of new synthetic methodologies. Its unique properties make it a useful tool for exploring new avenues in organic chemistry.
Used in Recombinant Androgen Receptor Competitive Binding Assay:
4'-Chloroacetoacetanilide is used as a component in the recombinant androgen receptor competitive binding assay, which is crucial for the analysis of natural, synthetic, and environmental chemicals. This application aids in understanding the interactions and effects of various compounds on androgen receptors, contributing to the broader field of endocrine disruption research.

Safety Profile

Moderately toxic by intraperitonealroute. Combustible whenexposed to heat or flame. Dangerous: see ANILINE andCYANIDE. Can react vigorously with oxidizing materials.To fight fire, use water, foam, CO2, water mist, drychemical. When heated to decompo

Upstream product

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• 30645-78-4 3-(4-chloro-phenyl)-6-methyl-[1,3]oxazine-2,4-dione 
• 141-43-5 ethanolamine 
• 541-50-4 2-acetoacetic acid 
• 1118-84-9 allyl acetoacetate 
• 105-45-3 acetoacetic acid methyl ester 
• 1352630-23-9 3-(4-chlorophenylamino)-2-[(4-chlorophenylimino)methyl]acrylonitrile 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 121-44-8 triethylamine 
• 109-73-9 N-butylamine 
• 1197-56-4 ammonium (4-chlorophenyl)carbamodithioate 
• 141-97-9 ethyl acetoacetate 
• 110-86-1 pyridine 

Downstream Products

• 83999-09-1 C₁₆H₁₂ClN₄O₈^(1-)*C₆H₁₅N*H⁽¹⁺⁾ 
• 41374-66-7 methyl 2-[(4-chlorophenyl)amino]-2-oxoacetate 
• 958650-18-5 1-[6-(4-chlorophenylamino)-3,4-dihydro-2H-pyran-5-yl]ethanone 
• 850997-70-5 (E)-2-(Bis-ethylsulfanyl-methylene)-3-oxo-5-thiophen-2-yl-pent-4-enoic acid (4-chloro-phenyl)-amide 
• 850997-71-6 (E)-2-(Bis-ethylsulfanyl-methylene)-5-furan-2-yl-3-oxo-pent-4-enoic acid (4-chloro-phenyl)-amide 
• 850997-66-9 2-bis(ethylthio)methylene-N-(4-chlorophenyl)-3-oxo-5-p-tolylpent-4-enamide 
• 850997-69-2 (E)-2-(Bis-ethylsulfanyl-methylene)-5-(4-fluoro-phenyl)-3-oxo-pent-4-enoic acid (4-chloro-phenyl)-amide 
• 850997-68-1 (E)-2-(Bis-ethylsulfanyl-methylene)-5-(4-chloro-phenyl)-3-oxo-pent-4-enoic acid (4-chloro-phenyl)-amide 
• 850997-72-7 (4E,6E)-2-(Bis-ethylsulfanyl-methylene)-3-oxo-7-phenyl-hepta-4,6-dienoic acid (4-chloro-phenyl)-amide 

Relevant articles and documents

Design, Multicomponent Synthesis and Characterization of Diversely Substituted Pyrazolo[1,5-a] Pyrimidine Derivatives

The synthesis of various heterocyclic compounds using acetoacetanilide[AAA], we have demonstrated that acetoactanilide are versatile intermediate for the synthesis of pyrazolopyrimidine derivatives. Thus, to explore further, we sought that the reaction of various acetoactanilide, an appropriate aldehyde and 5-amino-N-cyclohexyl-3-(methylthio)-1H-pyrazole-4-carboxamide in the presence of base in isopropyl alcohol could be an effective strategy to furnish the novel pyrazolopyrimidine derivatives. Here we describe the novel synthetic methodology for the fused pyrazolopyrimidines.

Synthesis of β-Ketoamide Curcumin Analogs for Anti-Diabetic and AGEs Inhibitory Activities

Two different series of novel β-ketoamide curcumin analogs enriched in biological activities have been synthesized. The synthesized compounds were screened for their in?vitro anti-diabetic and AGEs inhibitory activities and exhibited potent to good anti-diabetic and AGEs inhibitory activities. The molecular docking study was also performed with the α-amylase enzyme.

Ru(bpy)33+ electrochemiluminescence detection of aliphatic and aromatic amines with diketene

A new derivatization method for the detection of aliphatic and aromatic amines, based on electro-chemiluminescence (ECL) with Ru(bpy)32+ is proposed. Sample amines were derivatized to acetoacetylamide-type derivatives using diketene. The derivatives were detected by reversed-phase HPLC with ECL detection using Ru(bpy)32+.

Compound containing thiophene structure and application thereof in medicine

The present invention provides a compound of formula (I) and a pharmaceutically acceptable salt thereof, for use in the prevention and/or treatment of thromboembolic diseases and/or thromboembolic complications, wherein all variables are as defined in the specification.

Synthesis and in vitro Antidiabetic Screening of Novel Dihydropyrimidine Derivatives

Abstract: A series of N-substituted-6-methyl-4-{4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxyphenyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides have been synthesized by the condensation of newly synthesized {4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzaldehyde with variously substituted acetoacetanilides and urea in the presence of ethanol. The synthesized compounds have been characterized by 1H, 13C NMR, IR spectroscopy, and mass spectrometry. All synthesized compounds were evaluated for in vitro antidiabetic activity using the α-amylase inhibition assay with the 3,5-dinitrosalicylic acid (DNSA) reagent.