31952-55-3

Basic information

• Product Name: 4,4-DiMethyl-4h-isochroMene-1,3-dione
• Synonyms: 4,4-DiMethyl-4h-isochroMene-1,3-dione;4,4-Dimethylisochroman-1,3-dione
• CAS NO: 31952-55-3
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.1953
• Mol File: 31952-55-3.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4,4-DiMethyl-4h-isochroMene-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DiMethyl-4h-isochroMene-1,3-dione(31952-55-3)
• EPA Substance Registry System: 4,4-DiMethyl-4h-isochroMene-1,3-dione(31952-55-3)

Safety Data

• Hazardous Substances Data: 31952-55-3(Hazardous Substances Data)

Usage

General Description

4,4-Dimethyl-4H-isochromene-1,3-dione, also known as isochromene-1,3-dione, is a chemical compound with a molecular formula C11H10O3. It is a yellow crystalline solid that is commonly used as a reagent in organic synthesis. It has been found to exhibit anti-inflammatory and analgesic properties, and is being investigated for its potential use in the treatment of various medical conditions. Additionally, it has been reported to have insecticidal and antifungal activities, making it of interest for agricultural and pesticidal applications. The compound's versatile properties and potential therapeutic applications make it an important subject of research in the fields of medicinal chemistry and pharmacology.

Upstream product

• 40484-15-9 α,α-dimethylhomophthalic acid 
• 479029-86-2 2-([2H₃]methyl)-4-methyl-4-phenyl[1,1,1-2H₃]pentan-3-ol 
• 826-55-1 2-methyl-2-phenylpropionic acid 
• 201230-82-2 carbon monoxide 
• 1462-75-5 3-phenylpropylmagnesium bromide 
• 1985-59-7 1,1-dimethyltetralin 
• 71-43-2 benzene 
• 1010-48-6 3-methyl-3-phenylbutanoic acid 
• 26465-81-6 3,3-dimethylindan-1-one 
• 88790-35-6 2,4-dimethyl-2-phenylpentan-3-ol 
• 91496-41-2 2-(1,1-dimethyl-2-oxopropyl)benzoic acid 
• 40463-15-8 1,1,4-trimethyl-tetralin 
• 2979-70-6 2-methyl-5-phenyl-2-pentanol 
• 591-51-5 phenyllithium 

Downstream Products

• 40484-15-9 α,α-dimethylhomophthalic acid 
• 1689-09-4 3,3-Dimethyl-3H-isobenzofuran-1-one 
• 23417-79-0 2-(1-methylethenyl)benzaldehyde 
• 98-82-8 Isopropylbenzene 

Relevant articles and documents

Compositions and methods for the protection of nucleophilic groups

The present invention provides compositions, methods, and kits relating to the protection and deprotection of molecules comprising nucleophilic groups, such as the protection and deprotection of thermostable polymerases. Also provided are methods of performing nucleic acid amplification using polymerases protected according to the invention.

On rearrangements by cyclialkylations of arylpentanols to 2,3-dihydro-1H-indene derivatives. Part 2. An unexpected rearrangement by the acid-catalyzed cyclialkylation of 2,4-dimethyl-2-phenylpentan-3-ol under formation of trans-2,3-dihydro-1,1,2,3-tetramethyl-1H-indene

The acid catalyzed-cyclialkylation of 4-(2-chloro-phenyl)-2,4-dimethylpentan-2-ol (1) gave two products: 4-chloro-2,3-dihydro-1,1,3,3-tetramethyl-1H-indene (2) and also trans-4-chloro-2,3-dihydro-1,1,2,3-tetramethyl-1H-indene (3). A mechanism was proposed in Part 1 (cf. Scheme 1) for this unexpected rearrangement. This mechanism would mainly be supported by the result of the cyclialkylation of 2,4-dimethyl-2-phenylpentan-3-ol (4), which, with respect to the similarity of ion II in Scheme I and ion V in Scheme 2, should give only product 5. This was indeed the experimental result of this cyclialkylation. But the result of the cyclialkylation of 1,1,1,2′,2′,2′-hexadeuterated isomer [2H6]-4 of 4 (cf. Scheme 3) requires a different mechanism as for the cyclialkylation of 1. Such a mechanism is proposed in Schemes 5 and 6. It gives a satisfactory explanation of the experimental results and is supported by the result of the cyclialkylation of 2,4-dimethyl-3-phenylpentan-3-ol (9; Scheme 7). The alternative migration of a Ph or of an i-Pr group (cf. Scheme 6) is under further investigation.