562847-48-7

Basic information

• Product Name: 1-Cyclohexene-1-carboxylic acid, 2-hydroxy-4,4-dimethyl-6-oxo-
• CAS NO: 562847-48-7
• Molecular Formula: C9H12O4
• Molecular Weight: 184.192
• Mol File: 562847-48-7.mol

Chemical Properties

• CAS DataBase Reference: 1-Cyclohexene-1-carboxylic acid, 2-hydroxy-4,4-dimethyl-6-oxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Cyclohexene-1-carboxylic acid, 2-hydroxy-4,4-dimethyl-6-oxo-(562847-48-7)
• EPA Substance Registry System: 1-Cyclohexene-1-carboxylic acid, 2-hydroxy-4,4-dimethyl-6-oxo-(562847-48-7)

Safety Data

• Hazardous Substances Data: 562847-48-7(Hazardous Substances Data)

Usage

Structure

Cyclic carboxylic acid with a hydroxy and a ketone group attached to the cyclohexene ring

Functional groups

Carboxylic acid, hydroxy, and ketone

Explanation

The compound contains three functional groups a carboxylic acid group, a hydroxy group, and a ketone group. These groups contribute to the compound's chemical properties and reactivity.

Explanation

The compound is primarily used as an intermediate in the synthesis of other organic compounds, particularly in the pharmaceutical and chemical industries.

Explanation

Studies have shown that 1-Cyclohexene-1-carboxylic acid, 2-hydroxy-4,4-dimethyl-6-oxohas potential biological and pharmacological activities, such as anti-inflammatory and analgesic effects.

Explanation

Due to its biological and pharmacological properties, the compound may be used in the development of new drugs or treatments for a range of medical conditions.

Explanation

The compound serves as an intermediate in the synthesis of other organic compounds, making it valuable in the chemical industry for creating a variety of products.

Applications

Pharmaceutical and chemical industry

Biological and pharmacological activities

Anti-inflammatory and analgesic properties

Potential applications

Development of new drugs or treatments for various medical conditions

Industrial use

Synthesis of other organic compounds

Upstream product

• 14171-36-9 methyl magnesium carbonate 
• 126-81-8 dimedone 
• 124-38-9 carbon dioxide 
• 3471-13-4 dimedone 

Downstream Products

• 126-81-8 dimedone 

Relevant articles and documents

Technique for producing insecticide from carbon dioxide

A technique for producing an insecticide from carbon dioxide comprises the following steps: weighing a 1,3-cyclohexanedione substrate, a catalyst and Cs2CO3 in a Schleck bottle, degassing, and continuously introducing 1 atm carbon dioxide; adding a solven

Two phases of C9H12O4: Why is the structure at 295 K so complicated?

Molecules of 4,4′-dimethyl-2-hydroxy-6-oxocyclohexene-1-carboxylic acid, C9H12O4, crystallize at 295 K in a modulated superstructure with five half-molecules in the asymmetric unit; each molecule is located on one of the mirror planes of the space group Cmc21. Reflections with k ≠ 5n are systematically weak; a satisfactory refinement can be obtained in a Cmcm pseudocell having b′ = b/5. The important modulation involves small rotations of the molecules around axes perpendicular to the mirror plane; there is also an up/down disorder of the CMe2 fragment in four of the five molecules (two molecules with occupancy factors ca 4:1; two with occupancy factors ca 3:2). The modulation is a response to packing problems that can be traced to the differences between the thin, electron-and oxygen-rich 'head' of the molecule and the thicker, methyl-rich 'tail'. At 130 K the length of b is reduced by 2/5 and the Pmnb structure is ordered. Both structures can be described as modulated variants of the Cmcm substructure; the wavevectors are 2b′*/5 for the room-temperature structure and b′*/2 for the low-temperature structure, where b′* is the reciprocal axis of the subcell. The structure at room temperature can also be understood as a hybrid of the fully disordered pseudocell structure and the ordered structure that is found at low temperature.