5438-24-4

Basic information

• Product Name: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
• Synonyms: 1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-5,6-dimethyl-;5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (en);4-Cyclohexene-1,2-dicarboxylic anhydride, 4,5-dimethyl-;5,6-Dimethyl-3a,4,7,7a-tetrahydro-1,3-lsoben-zofurandione;5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone
• CAS NO: 5438-24-4
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.21
• Mol File: 5438-24-4.mol
• Article Data: 18

Chemical Properties

• Melting Point: 78 °C
• Boiling Point: 314.7°Cat760mmHg
• Flash Point: 147.1°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 0.000458mmHg at 25°C
• Refractive Index: 1.506
• CAS DataBase Reference: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione(5438-24-4)
• EPA Substance Registry System: 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione(5438-24-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 5438-24-4(Hazardous Substances Data)

Usage

General Description

The chemical 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione is a compound that belongs to the class of isobenzofuran-1,3-diones. It has a molecular formula of C11H12O3 and a molecular weight of 192.21 g/mol. 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. It is primarily used in the field of organic synthesis and pharmaceutical research as a building block for the preparation of various compounds. Its structure contains a tetrahydroisobenzofuran ring with two methyl groups at positions 5 and 6, as well as a carbonyl group at position 3. 5,6-dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione has potential applications in medicinal chemistry and drug discovery due to its unique structure and reactivity.

InChI:InChI=1/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3

Upstream product

• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 108-31-6 maleic anhydride 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 

Downstream Products

• 5680-10-4 4,5-dimethylphthalic acid 
• 619-04-5 3,4-dimethylbenzoic acid 
• 870171-40-7 2-(3-fluorophenyl)-5,6-dimethyl-1H-isoindole-1,3(2H)-dione 
• 110568-65-5 2,3-Dihydro-5,6-dimethyl-1H-isoindol-1-on 
• 5999-20-2 4,5-dimethylphthalic anhydride 

Relevant articles and documents

Hydrogen-bond symmetry in zwitterionic phthalate anions: Symmetry breaking by solvation

The cationic nitrogen of zwitterion 1 is located symmetrically with respect to its intramolecular OHO hydrogen bond. Incorporation of one 18O allows investigation of the H-bond symmetry by the NMR method of isotopic perturbation. In both CDsub

BISMUTH PERFLUOROALKYLPHOSPHINATES AS LEWIS ACID CATALYSTS

The invention relates to bismuth perfluoroalkylphosphinates as Lewis acid catalysts, the compounds, and processes for the preparation thereof. [in-line-formulae]ArxBi[OP(O)(Rf)2]3-x??(Ia),[/in-line-formulae] [in-line-formulae]Ar3Bi[OP(O)(Rf)2]2??(Ib).[/in-line-formulae]

Bismuth Perfluoroalkylphosphinates: New Catalysts for Application in Organic Syntheses

Commercially available BiPh3was treated with perfluoroalkylphosphinic acids [for example, (C2F5)2P(O)OH] to generate novel, highly Lewis acidic bismuth(III) perfluoroalkylphosphinates of the type PhxBi[RF2PO2]3?x(x=0, 1, 2) (RF=-C2F5, -C4F9). The first bismuth(V) perfluoroalkylphosphinate, Ph3Bi[(C2F5)2PO2]2, was synthesized from Ph3BiCl2and Ag[(C2F5)2PO2]. Examples for the successful application of the catalytically active bismuth(III) and bismuth(V) phosphinates in carbon–carbon bond forming reactions, such as Friedel–Crafts acylation and alkylation, Diels–Alder, Strecker and Mannich reaction, are presented.