16281-43-9

Basic information

• Product Name: 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
• Synonyms: 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid;1-Oxo-3-methyl-8-hydroxyisochroman-7-carboxylic acid;3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
• CAS NO: 16281-43-9
• Molecular Formula: C₁₁H₁₀O₅
• Molecular Weight: 222.19
• Product Categories: Heterocycles, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 16281-43-9.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Very Slightly)
• CAS DataBase Reference: 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid(16281-43-9)
• EPA Substance Registry System: 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid(16281-43-9)

Safety Data

• Hazardous Substances Data: 16281-43-9(Hazardous Substances Data)

Usage

Description

1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid is an organic compound that serves as an intermediate in the biosynthesis of various secondary metabolites. It is characterized by its unique chemical structure, which includes a benzopyran ring system with a carboxylic acid group and a methyl group at specific positions.

Uses

Used in Pharmaceutical Industry:
1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid is used as an intermediate in the synthesis of Ochratoxin B (O148500), a toxic metabolite produced by Aspergillus ochraceus. 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid plays a crucial role in the development of pharmaceuticals targeting fungal infections and understanding the mechanisms of toxicity associated with ochratoxins.
Used in Chemical Research:
1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid is utilized as a key compound in chemical research, particularly in the study of natural products and their biosynthetic pathways. Its unique structure makes it an interesting target for the development of new drugs and bioactive molecules with potential applications in various therapeutic areas.
Used in Agricultural Industry:
As an intermediate in the biosynthesis of Ochratoxin B, 1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid is relevant to the agricultural industry for understanding and managing the risks associated with mycotoxin contamination in crops. This knowledge can contribute to the development of strategies to prevent or reduce the presence of these toxic compounds in the food chain.

Upstream product

• 141207-16-1 dimethyl 2-hydroxy-4-propenyl-1,3-benzenedicarboxylate 
• 98360-97-5 N,N-diethyl-2-methoxy-3-carboxybenzamide 
• 82819-70-3 O-(2-N,N-diethylcarbamoyl)phenyl N,N-diethylcarbamate 
• 65009-00-9 O-phenyl N,N-diethylcarbamate 
• 1951-38-8 2-methoxyisophthalic acid 
• 98361-03-6 N,N-diethyl-2-methoxy-3-carboxy-6-allylbenzamide 
• 98361-01-4 N,N-diethyl-2-methoxy-3-(diethylcarbamoyl)-6-allylbenzamide 
• 141207-17-2 2-hydroxy-4-propenyl-1,3-benzenedicarboxylic acid 
• 83769-04-4 methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-(1H)-2-benzopyran-7-carboxylate 
• 216967-83-8 N,N-diethyl-2-methoxy-3-(diethylcarbamoyl)-6-methylbenzamide 
• 141207-15-0 (+/-)-dimethyl 4-(2-acetoxypropyl)-2-hydroxy-1,3-benzenedicarboxylate 
• 98360-99-7 N,N-diethyl-2-methoxy-3-(diethylcarbamoyl)benzamide 

Downstream Products

• 216967-81-6 ochratoxin B methyl ester 

Relevant articles and documents

COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA

There is described compounds for use in therapy, said compounds being defined by Formula (1): There is also described an anti-proliferative composition comprising one or more compounds according to Formula (1), and a method of treatment of neoplasia comprising the administration of such a compound or composition.

SYNTHESES OF (+)- AND (-)-MELLEIN UTILIZING AN ANNELATION REACTION OF ISOXAZOLES WITH DIMETHYL 3-OXOGLUTARATE

Naturally occurring dihydroisocoumarins, (+)- and (-)-mellein (2 and 3), metabolites of fungals, Cercospora sp. and Aspergillus sp., etc., were synthesized from the isoxazoles (32) and (33) by the annelation reactions with dimethyl 3-oxoglutarate.