3617-01-4

Basic information

• Product Name: 3-(4-CHLOROPHENYL)-2-OXOPROPANOIC ACID
• Synonyms: 3-(4-CHLOROPHENYL)-2-OXOPROPANOIC ACID;3-(4-Chlorophenyl)-2-hydroxy-acrylic acid;4-Chloro-a-oxo-benzenepropanoic acid
• CAS NO: 3617-01-4
• Molecular Formula: C₉H₇ClO₃
• Molecular Weight: 198.6
• Mol File: 3617-01-4.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 331.8°C at 760 mmHg
• Flash Point: 154.5°C
• Appearance: /
• Density: 1.394g/cm³
• Vapor Pressure: 6.06E-05mmHg at 25°C
• Refractive Index: 1.572
• CAS DataBase Reference: 3-(4-CHLOROPHENYL)-2-OXOPROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-CHLOROPHENYL)-2-OXOPROPANOIC ACID(3617-01-4)
• EPA Substance Registry System: 3-(4-CHLOROPHENYL)-2-OXOPROPANOIC ACID(3617-01-4)

Safety Data

• Hazardous Substances Data: 3617-01-4(Hazardous Substances Data)

Usage

Uses

3-(4-Chlorophenyl)-2-hydroxy-acrylic Acid is used in preparation of Pyridopyrazinone derivatives as insulin secretion stimulators useful for treating diabetes.

InChI:InChI=1/C9H7ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)

Upstream product

• 88681-63-4 2-acetamido-3-(4-chlorophenyl)acrylic acid 
• 461-72-3 2,4-imidazolidinedione 
• 104-88-1 4-chlorobenzaldehyde 
• 1431505-85-9 (E/Z)-methyl 3-(4-chlorophenyl)-2-dimethylaminoacrylate 
• 80540-56-3 methyl 3-(4-chlorophenyl)-2-hydroxyacrylate 
• 7424-00-2 DL-Phe(4Cl) 
• 141666-37-7 5-[1-(4-Chloro-phenyl)-1-trimethylsilanyl-meth-(Z)-ylidene]-2-trichloromethyl-[1,3]dioxolan-4-one 
• 93634-55-0 2-methyl-4-(4-chlorobenzylidene)-4H-oxazol-5-one 
• 14173-39-8 p-chlorophenylalanine 
• 93634-55-0 (Z)-4-(4-chlorobenzylidene)-2-methyloxazol-5(4H)-one 
• 127220-32-0 5-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2-trichloromethyl-[1,3]dioxolan-4-one 
• 88681-63-4 (Z)-2-acetamido-3-(4-chlorophenyl)acrylic acid 
• 15601-44-2 (Z/E)-4-(4-chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one 
• 15601-44-2 (Z)-2-phenyl-4-(4-chlorobenzylidene)-5(4H)-oxazolone 

Downstream Products

• 22900-99-8 3-(4-chloro-phenyl)-2-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-propionic acid 
• 81321-33-7 (E)-N-[2-(4-Chlorophenyl)ethenyl]morpholine 
• 117530-89-9 4-Amino-6-(4-chloro-benzyl)-2H-[1,2,4]triazine-3,5-dione 
• 22278-75-7 6-(p-chlorobenzyl)-4-amino-3-mercapto-1,2,4-triazin-5-one 
• 1141478-91-2 (R)-3-(4-chlorophenyl)-2-hydroxypropanoic acid 
• 14173-39-8 p-chlorophenylalanine 
• 14091-08-8 para-Chloro-D-phenylalanine 
• 93986-07-3 3-(4-chlorobenzyl)quinoxalin-2(1H)-one 
• 23434-95-9 3-(p-Chlorophenyl)-2-hydroxypropanoic acid 
• 128437-66-1 3-(4-chloro-phenyl)-3-methyl-2-oxo-butyric acid 
• 117530-77-5 6-(4-Chloro-benzyl)-4-phenyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one 
• 117530-86-6 6-(4-Chloro-benzyl)-4-phenyl-2H-[1,2,4]triazine-3,5-dione 

Relevant articles and documents

Synthesis, biological activity, molecular docking studies of a novel series of 3-Aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as the acetylcholinesterase inhibitors

The acetylcholinesterase inhibitors play a critical role in the drug therapy for Alzheimer’s disease. In this study, twenty-nine novel 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were synthesized and assayed for their human acetylcholinesterase (hAChE) inhibitory activities. Inhibitory ratio values of seventeen compounds were above 55% with 4c having the highest value as 77.19%. The compounds with the halogen atoms in the aromatic ring, and N,N-diethylamino or N,N-dimethylamino groups in the side chains at C-3 positions exhibited good inhibitory activity. SAR study was carried out by means of molecular docking technique. According to molecular docking results, the common interacting site for all compounds were found to be peripheral anionic site whereas highly active compounds were interacting with the catalytic active site too. HIGHLIGHTS A novel series of 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were synthesized and assayed for their human acetylcholinesterase (hAChE) inhibitory activities. The SAR study of the target 3-aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives was summarized. The active sites in the acetylcholinesterase were analyzed by molecular docking technique. Communicated by Ramaswamy H. Sarma.

Bio-inspired enantioselective full transamination using readily available cyclodextrin

The mimics of vitamin B6-dependent enzymes that catalyzed an enantioselective full transamination in the pure aqueous phase have been realized for the first time through the establishment of a new “pyridoxal 5′-phosphate (PLP) catalyzed non-covalent cyclodextrin (CD)-keto acid inclusion complexes” system, and various optically active amino acids have been obtained.

Design, synthesis, and biological evaluation of 7H-thiazolo[3,2-b]-1,2,4- triazin-7-one derivatives as dual binding site acetylcholinesterase inhibitors

A series of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives were designed, synthesized and evaluated as dual binding site acetylcholinesterase inhibitors. The target compounds exhibited promising inhibitory activity for AChE. The structure-activity relationships were discussed and their binding conformation and simultaneous interactions mode were further clarified by the molecular docking studies.