116750-06-2

Basic information

• Product Name: 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE
• Synonyms: 5-(N-PHTHALIMIDOMETHYL)FURAN-2-CARBOXALDEHYDE;5-[(1,3-DIOXO-1,3-DIYHDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE;5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE;BUTTPARK 93\04-13;5-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-furaldehdye;5-[(1,3-Dioxoisoindolin-2-yl)methyl]furan-2-carboxaldehyde, 5-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-formylfuran, N-[(5-Formylfur-2-yl)methyl]phthalimide
• CAS NO: 116750-06-2
• Molecular Formula: C₁₄H₉NO₄
• Molecular Weight: 255.23
• Mol File: 116750-06-2.mol

Chemical Properties

• Melting Point: 125 °C
• Boiling Point: 454.4°Cat760mmHg
• Flash Point: 228.6°C
• Appearance: /
• Density: 1.455g/cm³
• Vapor Pressure: 1.91E-08mmHg at 25°C
• Refractive Index: 1.674
• PKA: -2.53±0.20(Predicted)
• CAS DataBase Reference: 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE(116750-06-2)
• EPA Substance Registry System: 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE(116750-06-2)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 116750-06-2(Hazardous Substances Data)

Usage

Uses

Used in Organic Chemistry:
5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE is used as a versatile building block for the development of new synthetic methodologies. Its complex structure allows for various chemical reactions and modifications, facilitating the creation of a wide range of novel compounds with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE is used as a key intermediate in the synthesis of bioactive molecules. Its unique structure can be exploited to design and develop new drugs with improved therapeutic properties, potentially leading to the discovery of innovative treatments for various diseases and conditions.
Used in Material Science:
5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE is used as a component in the development of advanced materials. Its chemical properties and reactivity can be harnessed to create new materials with unique properties, such as improved stability, enhanced functionality, or novel applications in various fields, including electronics, coatings, and composites.
Used in Chemical Research:
In the field of chemical research, 5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE serves as an interesting subject for studying the properties and behavior of complex organic compounds. Its unique structure provides opportunities for exploring new reaction pathways, understanding molecular interactions, and gaining insights into the fundamental principles of organic chemistry.
Used in Environmental Applications:
5-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-2-FURALDEHYDE can be used in environmental applications, such as the development of eco-friendly materials or the design of chemical processes with reduced environmental impact. Its unique structure and reactivity may contribute to the creation of sustainable solutions for various environmental challenges.

InChI:InChI=1/C14H9NO4/c16-8-10-6-5-9(19-10)7-15-13(17)11-3-1-2-4-12(11)14(15)18/h1-6,8H,7H2

Upstream product

• 4667-83-8 2-(furan-2-ylmethyl)isoindoline-1,3-dione 
• 68-12-2 N,N-dimethyl-formamide 
• 617-89-0 furan-2-ylmethanamine 
• 1623-88-7 5-chloromethylfurfural 
• 1074-82-4 potassium phtalimide 

Downstream Products

• 1071471-21-0 (S)-2-fluoro-N,N-dimethyl-N-((5-((3-methyl-2-(4-(4-sulfamoylphenyl)-1H-1,2,3-triazol-1-yl)butanamido)methyl)furan-2-yl)methyl)ethanaminium 4-methylbenzenesulfonate 
• 1071471-35-6 DHK₉₇ 
• 1071476-64-6 C₇H₇O₃S^(1-)*C₄₄H₅₀FN₆O₆S⁽¹⁺⁾ 
• 106-60-5 ALA 
• 92632-81-0 5-phthalimidyl levulinic acid 

Relevant articles and documents

Tandem Mannich/Diels-Alder reactions for the synthesis of indole compound libraries

A tandem Mannich/Diels-Alder sequence for the synthesis of small-molecule libraries with an indolyl-octahydro-3a,6-epoxy-isoindole core structure is demonstrated in this study. Representative diversification examples based on this scaffold were performed, and a library is being produced within the European Lead Factory (ELF) Consortium.

Process for preparing 5-aminolevulinic acid from 5-chloromethyl furfural

The invention discloses a process for preparing 5-aminolevulinic acid from 5-chloromethylfurfural. The biomass-based 5-chloromethylfurfural and cheap and easily available potassium phthalimide are used as reaction raw materials to react to obtain ammoniated product 5-(phthalimide) methylfurfural with a yield of 97.1%, and then the 5-ALA is obtained through synthesis steps of photooxidation, reduction, hydrolysis and the like. The structure of the 5-ALA is determined by nuclear magnetic resonance. The purity of the 5-ALA is 96.1% and the total reaction yield is 23.7%. Compared with the traditional chemical synthesis route of the 5-aminolevulinic acid, the process has the advantages of cheap and easily available raw materials, simple and convenient operation, mild reaction conditions, no toxicity and the like, and has a good industrial popularization prospect.

Synthesis of amines of the di- and trifurylmethane series

Methods are proposed for the synthesis of amines of the di-and trifurylmethane series-prospective compounds for the production of polymers and macrocyclic molecules-on the basis of 2-(2-furylmethyl)-1,3-isoindolinedione.

Syntheses of γ-oxo acids or γ-oxo esters by photooxygenation of furanic compounds and reduction under ultrasound: Application to the synthesis of 5-aminolevulinic acid hydrochloride

The photooxygenation of 5-hydroxymethyl-2-furfural (1a) or derivatives 1b-g yields 4-hydroxy-Δ2-butenolides 2 which are the percursors of butenolides 3 or α,β-unsaturated γ-oxo esters 5. The selective reduction of olides 2 or oxo esters 5 with zinc in acetic acid under sonication leads to γ-oxo acids 4 or γ-oxo esters 6. The photooxygenation of amino derivative 1d, followed by selective reduction of corresponding lactone 2d, gives 5-aminolevulinic acid hydrochloride (7) (ALA) after hydrolysis.