82584-78-9

Basic information

• Product Name: METHYL 4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLATE
• Synonyms: 4,5,6,7-Tetrahydro-4-oxo-3-benzofurancarboxylic acid methyl ester;4,5,6,7-Tetrahydro-4-oxo-3-benzofurancarboxylic acid methylester;Methyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate, 3-(Methoxycarbonyl)-4-oxo-4,5,6,7-tetrahydrobenzo[b]furan;Methyl 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate;methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate;METHYL 4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLATE;Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylate
• CAS NO: 82584-78-9
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.184
• Mol File: 82584-78-9.mol
• Article Data: 11

Chemical Properties

• Melting Point: 104-106
• Boiling Point: 339.849 °C at 760 mmHg
• Flash Point: 159.335 °C
• Appearance: /
• Density: 1.265 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.528
• Storage Temp.: 2-8°C
• CAS DataBase Reference: METHYL 4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLATE(82584-78-9)
• EPA Substance Registry System: METHYL 4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLATE(82584-78-9)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 82584-78-9(Hazardous Substances Data)

Usage

General Description

Methyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is a chemical compound with the molecular formula C12H12O4. It is an ester derivative of benzofuran, a heterocyclic compound. This chemical is commonly used in the pharmaceutical industry as a building block for the synthesis of various organic compounds. It possesses potential therapeutic properties and is being researched for its potential use in the treatment of various medical conditions. Additionally, it has also been identified as a key intermediate in the production of certain drugs and active pharmaceutical ingredients. Due to its versatile nature and potential applications, methyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is an important compound in the field of organic chemistry and pharmaceutical research.

InChI:InChI=1/C10H10O4/c1-13-10(12)6-5-14-8-4-2-3-7(11)9(6)8/h5H,2-4H2,1H3

Upstream product

• 186581-53-3 diazomethane 
• 56671-28-4 4,5,6,7-tetrahydro-4-oxobenzofuran-3-carboxylic acid 
• 86396-02-3 2-(phenyl-λ³-iodaneylidene)cyclohexane-1,3-dione 
• 922-67-8 propynoic acid methyl ester 
• 845868-25-9 methyl 3-bromo-3-nitropropenoate 
• 504-02-9 1,3-cylohexanedione 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 67-56-1 methanol 

Downstream Products

• 13671-74-4 1-benzyl-4-oxo-4,5,6,7-tetrahydroindole 

Relevant articles and documents

Optimization of the Synthesis of Benzo[b]furan-3-carboxylates Based on Alkyl 3-Bromo-3-nitroacrylates

Abstract: The conditions were optimized for the synthesis of 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3carboxylates based on the reactions of alkyl 3-bromo-3-nitroacrylates with cyclic СН-acids such as cyclohexane-1,3-dione and 5,5-dimethylcyclohexane-1,3-dione. Possible reaction pathways were estimated using quantum chemical calculations [B3LYP/6-311+G(d,p) taking into account solvent effects].

Microwave-assisted synthesis of tetrahydroindoles

An efficient synthesis of tetrahydroindoles with different substituents in position 1 is described. Microwave-assisted aminolysis of 4-oxo-4,5,6,7-tetrahydrobenzofuran with different primary amines gives the corresponding tetrahydroindoles in few minutes.

Compounds, Compositions and methods for insect control

Rapidly acting compositions having vapor phase insecticidal activity comprise natural products or natural product-based materials. Further, these materials are non-petroleum based, are typically 100% biodegradable, and typically do not persist in the environment, unlike traditional pesticides. The compositions kill susceptible insects on contact in seconds, even the notoriously hardy peripleneta species. The compositions also kill insects behind cracks and crevices and when sprayed onto absorbent surfaces such as wood and plasterboard, where traditional contact insecticides work poorly or not at all. New methods of testing insecticides can be used to quantify these effects.