5112-47-0

Basic information

• Product Name: 4-oxo-4H-1-benzopyran-2-carbonyl chloride
• Synonyms: 4-oxo-4H-1-benzopyran-2-carbonyl chloride;Einecs 225-841-2;4H-1-BENZOPYRAN-2-CARBONYL CHLORIDE,4-OXO-;4-oxo-4H-chromene-2-carbonyl chloride
• CAS NO: 5112-47-0
• Molecular Formula: C₁₀H₅ClO₃
• Molecular Weight: 208.5979
• EINECS: 225-841-2
• Mol File: 5112-47-0.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 305.6°C at 760 mmHg
• Flash Point: 135.7°C
• Appearance: /
• Density: 1.477g/cm³
• Vapor Pressure: 0.000814mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: 4-oxo-4H-1-benzopyran-2-carbonyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-oxo-4H-1-benzopyran-2-carbonyl chloride(5112-47-0)
• EPA Substance Registry System: 4-oxo-4H-1-benzopyran-2-carbonyl chloride(5112-47-0)

Safety Data

• Hazardous Substances Data: 5112-47-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Medicinal Chemistry, 15, p. 865, 1972 DOI: 10.1021/jm00278a027

InChI:InChI=1/C10H5ClO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h1-5H

Upstream product

• 4940-39-0 acide chromone carboxylique-2 
• 118-93-4 o-hydroxyacetophenone 
• 39079-62-4 chromone-3-carboxylic acid 
• 14736-31-3 ethyl 4-oxo-4H-1-benzopyran-2-carboxylate 

Downstream Products

• 32773-93-6 N-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide 
• 101731-68-4 4-oxo-4H-chromene-2-carboxylic acid-(4-dimethylamino-anilide) 
• 3845-17-8 N-(4-methylphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide 
• 54778-89-1 4-oxo-4H-chromene-2-carboxylic acid-(2-formyl-phenyl ester) 
• 109843-27-8 N-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxamide 
• 21315-27-5 4-[(4-oxo-4H-chromen-2-yl)carbonylamino]benzoic acid 
• 32521-44-1 N-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-2-carboxamide 
• 32773-96-9 N,N-diethyl-4-oxo-4H-chromene-2-carboxamide 
• 3845-16-7 N-Phenyl-4(H)-oxo-1-benzopyran-2-carboxamide 
• 32521-40-7 N-benzyl-4-oxo-4H-chromene-2-carboxamide 
• 109722-42-1 4-(4-oxo-4H-chromene-2-carbonylamino)-benzenesulfonic acid 
• 19730-07-5 4-oxo-4H-chromene-2-carboxylic acid 4-thiazol-2-ylsulfamoyl-anilide 
• 21401-52-5 4-oxo-4H-chromene-2-carboxylic acid 4-(5-methyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-anilide 
• 19730-03-1 4-oxo-4H-chromene-2-carboxylic acid 4-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-anilide 

Relevant articles and documents

Synthesis and characterisation of new 4-oxo-N-(substituted-thiazol-2-yl)-4H-chromene-2-carboxamides as potential adenosine receptor ligands

Abstract Chromones are 4H-benzopyran-4-one heterocycles that have been thoroughly studied due to their interesting biological activities. Thiazole based compounds have been used in therapeutics as antimicrobial, antiviral and as antifungal agents for a long time but, in the past decades, they have been identified as potent and selective ligands for adenosine receptor. In continuation of our project related to the syntheses of pharmacologically important heterocycles, a new series of chromone-thiazole hybrids have been designed as potential ligands for human adenosine receptors. In this context, new 4-oxo-N-(substituted-thiazol-2-yl)-4H-chromene-2-carboxamides were synthesized from chromone-2-carboxylic acid by two different amidation methods. The development of dissimilar synthetic approaches provided the possibility of working with diverse reaction conditions, namely with conventional heating and/or microwave irradiation. The structure of the compounds has been established on the basis of NMR and MS spectroscopy and X-ray crystallography. Relevant data related to the molecular geometry and conformation of the chromone-thiazole hybrids has been acquired which can be of the utmost importance to understand ligand-receptor binding.

Copper Bis(oxazoline)-Catalyzed Enantioselective Alkynylation of Benzopyrylium Ions

The stereocontrolled construction of biologically relevant chromanones and tetrahydroxanthones has been achieved through the addition of alkynes to benzopyrylium trilfates under the influence of copper bis(oxazoline) catalysis. Excellent levels of enantiocontrol (63–98 % ee) are achieved in the addition of a variety of alkynes to an array of chromenones with a hydrogen in the 2-position. Promising levels of enantiocontrol (54–67 % ee) are achieved in the alkynylation of chromenones with esters in the 2-position, generating tertiary ether stereocenters resembling those frequently found in naturally occurring metabolites.

SOLID STATE FORMS OF N-[2-(2-{4-[2-(6,7-DIMETHOXY-3,4-DIHYDRO-2(LH)- ISOQUINOLINYL)ETHYL] PHENYL }-2H-TETRAZOL-5-YL)-4,5-DIMETHOXYPHENYL] -4- OXO-4H-CHROMENE-2-CARBOXAMIDE AND OF ITS MESYLATE SALT

The present disclosure relates to solid state forms of Encequidar (previously referred to as HM-30181A) base, Encequidar ((HM-30181A) mesylate, co-crystals of Encequidar (HM-30181A) mesylate, processes for preparation thereof, as well as pharmaceutical compositions including the same.

Palladium- and Nickel-Catalyzed Decarbonylative C-S Coupling to Convert Thioesters to Thioethers

This Letter describes the development of a catalytic decarbonylative C-S coupling reaction that transforms thioesters into thioethers. Both Pd- and Ni-based catalysts are developed and applied to the construction of diaryl, aryl alkyl, and heterocycle-containing thioethers.