2289-03-4

Basic information

• Product Name: 1-oxo-1H-isochromene-3-carboxylic acid
• Synonyms: 1H-2-benzopyran-3-carboxylic acid, 1-oxo-; 1-Oxo-1H-isochromene-3-carboxylic acid
• CAS NO: 2289-03-4
• Molecular Formula: C₁₀H₆O₄
• Molecular Weight: 190.1522
• Mol File: 2289-03-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 358.8°C at 760 mmHg
• Flash Point: 149.1°C
• Density: 1.493g/cm³
• Vapor Pressure: 8.98E-06mmHg at 25°C
• Refractive Index: 1.639
• CAS DataBase Reference: 1-oxo-1H-isochromene-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-oxo-1H-isochromene-3-carboxylic acid(2289-03-4)
• EPA Substance Registry System: 1-oxo-1H-isochromene-3-carboxylic acid(2289-03-4)

Safety Data

• Hazardous Substances Data: 2289-03-4(Hazardous Substances Data)

Usage

Bicyclic structure

Benzene ring fused to a cyclic ether The compound has a bicyclic structure, with a benzene ring fused to a cyclic ether, forming the basis of the isochromene structure.

Carboxylic acid group

Weak acid in aqueous solutions The presence of a carboxylic acid group in the molecule allows it to act as a weak acid when dissolved in water.

Pharmaceutical research

Potential applications in drug development Due to its unique structure and potential biological activities, 1-oxo-1H-isochromene-3-carboxylic acid has potential applications in pharmaceutical research and drug development.

Chemical synthesis

Uses in chemical synthesis The interesting aromatic and cyclic structure of the compound may make it useful in chemical synthesis processes.

Material science

Applications in material science The compound's structure and properties may also have potential applications in the field of material science.

Multidisciplinary interest

Relevance to various fields of science and technology 1-oxo-1H-isochromene-3-carboxylic acid is a compound of interest for various fields, including chemistry, biology, and material science, due to its unique structure and potential applications.

Upstream product

• 15868-26-5 4-hydroxy-1-oxo-isochroman-3-carboxylic acid 
• 89806-27-9 3,4-dimethoxycarbonylisocoumarin 
• 101094-24-0 3,4-Diethoxycarbonyl-isocumarin 
• 111936-75-5 3.4.3'.4'-Tetrahydroxy-[1.1']binaphthyl 
• 111686-63-6 ethyl 1-oxo-1H-2-benzopyran-3-carboxylate 
• 7647-01-0 hydrogenchloride 
• 7732-18-5 water 
• 111686-62-5 ethyl 3-oxo-1a,7b-dihydro-3H-azirino<2,3-c>-2-benzopyran-1a-carboxylate 
• 119-67-5 o-carboxybenzaldehyde 
• 14961-34-3 diethyl homophthalate 
• 716-43-8 dimethyl homophthalate 
• 685-87-0 Diethyl 2-bromomalonate 
• 15960-79-9 di-tert-butyl 2-bromomalonate 
• 553-90-2 Dimethyl oxalate 

Downstream Products

• 7509-13-9 1-Oxo-2H-isoquinoline-3-carboxylic acid 
• 90687-01-7 sodium salt of 6--2,2-dimethylpenam-3-carboxylic acid 
• 90687-02-8 methyl ester of 6--2,2-dimethylpenam-3-carboxylic acid 
• 90560-48-8 2-carboxy-mandelic acid 
• 7509-13-9 1-hydroxy-isoquinoline-3-carboxylic acid 
• 855692-29-4 2-benzyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid 
• 89806-32-6 N-methyl-3-carboxy-1(2H)-isoquinolinone 
• 412336-51-7 1-oxo-2-phenyl-1,2-dihydro-isoquinoline-3-carboxylic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 144-62-7 oxalic acid 
• 500786-62-9 2-ethyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid 

Relevant articles and documents

Crystal Photodimerization Reactions of Spatially Engineered Isocoumarin Assemblies

We report the single-crystal-to-single-crystal (SCSC) photodimerization of a sulfonamide isocoumarin. When recrystallized, this material forms centrosymmetrically related supramolecular dimers that assemble via the complementary features of molecular shap

2-Hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic Acid with Inbuilt β-NHydroxy-γ-keto-Acid pharmacophore as HCV NS5B polymerase inhibitors

The inbuilt 2-N-hydroxy-1-oxo-3-carboxylic acid of isoquinolone was designed as pyrophosphate mimic for hepatitis C NS5B polymerase. Various 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid derivatives 11a-p were synthesized and evaluated as HCV NS5B polymerase inhibitors. Compound 11c exhibited moderate inhibitory potency based on the inorganic pyrophosphate generation (IC50 = 9.5 μM) and based on NTP incorporation by NS5B enzyme (IC50 = 5.9 μM). Compound 11c demonstrated antiviral activity (EC50 = 15.7 μM) and good selectivity in HCV genotype 1b replicon Ava.5 cells. Compound 11c reduced the interaction of NTP to NS5B polymerase. Docking model showed that 11c situated in similar orientation to the bound uridine triphosphate in the active site of NS5B polymerase. As a result, 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid was disclosed as a novel inbuilt β-Nhydroxy-γ-keto-acid pharmacophore for HCV NS5B polymerase inhibitors.

TRISUBSTITUTED AMINE COMPOUND

The present invention relates to a compound of the general formula (1): wherein, Y is a methylene group, and the like; A is an optionally substituted heterocyclic group, and the like; B is an optionally substituted heterocyclic group, and the like; R1 is an optionally substituted alkyl group, wherein the alkyl group further may optionally be substituted by an optionally substituted homocyclic group, and the like; and R2 is an optionally substituted amino group, and the like; or a pharmaceutically acceptable derivative thereof, which has an inhibitory activity against cholesteryl ester transfer protein (CETP), thereby being useful for prophylaxis and/or treatment of arteriosclerotic diseases, hyperlipemia or dyslipidemia, and the like.