24499-80-7

Basic information

• Product Name: 5,5-DIMETHYLHEXANOIC ACID
• Synonyms: 5,5-DIMETHYLHEXANOIC ACID
• CAS NO: 24499-80-7
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• EINECS: 246-289-9
• Mol File: 24499-80-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 227.7 °C at 760 mmHg
• Flash Point: 102.5 °C
• Appearance: /
• Density: 0.928 g/cm³
• Vapor Pressure: 0.0275mmHg at 25°C
• Refractive Index: 1.436
• CAS DataBase Reference: 5,5-DIMETHYLHEXANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5,5-DIMETHYLHEXANOIC ACID(24499-80-7)
• EPA Substance Registry System: 5,5-DIMETHYLHEXANOIC ACID(24499-80-7)

Safety Data

• Hazardous Substances Data: 24499-80-7(Hazardous Substances Data)

Usage

General Description

5,5-Dimethylhexanoic acid is a chemical compound with the molecular formula C8H16O2. It is a carboxylic acid with a six-carbon alkyl chain and two methyl groups attached to the fifth carbon atom. 5,5-Dimethylhexanoic acid is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fragrances. It is also used as a precursor in the production of other organic compounds and as a building block for the creation of new chemical compounds. Additionally, 5,5-Dimethylhexanoic acid has been found to have antimicrobial and antifungal properties, making it a potential candidate for use in the development of new antimicrobial agents.

InChI:InChI=1/C8H16O2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3,(H,9,10)

Upstream product

• 6570-95-2 1-bromo-4,4-dimethylpentane 
• 151-50-8 potassium cyanide 
• 121253-77-8 5,5-dimethylhexanenitrile 
• 186581-53-3 diazomethane 
• 15673-02-6 neoheptanoyl chloride 
• 124-38-9 carbon dioxide 
• 96056-56-3 (4,4-dimethyl-pentyl)-magnesium bromide 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 106-95-6 allyl bromide 
• 462114-20-1 3,3-dimethylbutylmalonic acid 
• 854839-01-3 (3,3-dimethyl-butyl)-malonic acid diethyl ester 
• 762-62-9 4,4-dimethylpent-1-ene 
• 2987-16-8 3,3-dimethylbutyrylaldehyde 
• 1404379-71-0 benzyl 5,5-dimethyl-2-hexenoate 

Downstream Products

• 2768-18-5 5,5-dimethylhexan-1-ol 
• 3121-85-5 Carbaminsaeure-(5,5-dimethyl-hexylester) 
• 931400-60-1 N-(4-fluorophenyl)-5,5-dimethylhexanamide 
• 1404377-41-8 C₂₆H₃₆N₂O₄ 
• 1404379-74-3 C₃₅H₅₀O₄Si 
• 1404379-75-4 C₃₆H₅₃NO₄Si 
• 1404379-76-5 C₃₅H₅₀INO₄Si 
• 1404379-77-6 C₃₈H₅₅NO₄Si 
• 1404379-80-1 C₃₀H₄₄N₂O₄ 

Relevant articles and documents

TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

AMIDE COMPOUND AND MEDICINAL USE THEREOF

A compound of formula [I-W]: wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

Influence of bulky substituents on histamine H3 receptor agonist/antagonist properties

Novel derivatives of 3-(1H-imidazol-4-yl)propanol were designed on the basis of lead compounds belonging to the carbamate or ether series possessing (partial) agonist properties on screening assays of the histamine H3 receptor. One pair of enantiomers in the series of α-methyl-branched chiral carbamates was stereoselectively prepared in high optical yields. Enantiomeric purity was checked by Mosher amide derivatives of precursors and capillary electrophoresis of the final compounds with trimethyl-β-cyclodextrin as chiral selector, and was determined to be ≥95%. The novel compounds were investigated in various histamine H3 receptor assays in vitro and in vivo. Some compounds displayed partial agonist activity on synaptosomes of rat brain cortex, whereas others exhibited antagonist properties only. Selected compounds were investigated in [125I]iodoproxyfan binding studies on the human histamine H3 receptor and showed high affinity in the nanomolar concentration range. Under in vivo conditions after oral administration to mice, some of the compounds exhibited partial or full agonist activity in the brain at low dosages. The (S)-enantiomer of one pair of chiral carbamates (9) proved to be the eutomer; thus, the (S)-enantiomer was selected for further pharmacological studies. In a peripheral in vivo test model in rats, measuring the level of inhibition of capsaicin-induced plasma extravasation, (S)-9 again proved its high oral agonist potency with full intrinsic activity (ED50 values of 0.07-0.1 mg/kg depending on tissue).