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

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

Uses

Used in Pharmaceutical Industry:
5,5-Dimethylhexanoic acid is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and enhance their efficacy.
Used in Agrochemical Industry:
5,5-Dimethylhexanoic acid is used as an intermediate in the production of agrochemicals, playing a crucial role in the creation of effective pesticides and other agricultural chemicals.
Used in Fragrance Industry:
5,5-Dimethylhexanoic acid is used as a precursor in the synthesis of fragrances, contributing to the development of unique and complex scents for various applications.
Used in Organic Compound Production:
5,5-Dimethylhexanoic acid is used as a precursor in the production of other organic compounds, enabling the creation of a wide range of chemical products.
Used in Chemical Research and Development:
5,5-Dimethylhexanoic acid is used as a building block for the creation of new chemical compounds, facilitating innovative research and development in the chemical industry.
Used in Antimicrobial Applications:
5,5-Dimethylhexanoic acid is used as a potential candidate for the development of new antimicrobial agents due to its antimicrobial and antifungal properties, offering a promising solution for combating resistant microorganisms.
Used in Anti-Fungal Applications:
5,5-Dimethylhexanoic acid is used in the development of antifungal agents, leveraging its antifungal properties to address fungal infections and related health issues.

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 
• 462114-20-1 3,3-dimethylbutylmalonic acid 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 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 
• 2623-87-2 bromobutyric acid 
• 677-22-5 tert-butylmagnesium chloride 

Downstream Products

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

Relevant articles and documents

Cation-π interactions contribute to substrate recognition in γ-butyrobetaine hydroxylase catalysis

γ-Butyrobetaine hydroxylase (BBOX) is a non-heme FeII- and 2-oxoglutarate-dependent oxygenase that catalyzes the stereoselective hydroxylation of an unactivated C-H bond of γ-butyrobetaine (γBB) in the final step of carnitine biosynthesis. BBOX contains an aromatic cage for the recognition of the positively charged trimethylammonium group of the γBB substrate. Enzyme binding and kinetic analyses on substrate analogues with P and As substituting for N in the trimethylammonium group show that the analogues are good BBOX substrates, which follow the efficiency trend N+>P+>As+. The results reveal that an uncharged carbon analogue of γBB is not a BBOX substrate, thus highlighting the importance of the energetically favorable cation-π interactions in productive substrate recognition. What's in the BBOX? Enzyme kinetics and substrate binding studies reveal that γ-butyrobetaine hydroxylase (BBOX)-catalyzed stereoselective hydroxylation of γ-butyrobetaine involves energetically favorable cation-π interactions.

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.

INHIBITORS OF CATHEPSIN S

The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme. The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.

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).

7-oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease

7-Oxabicycloheptane substituted prostaglandin analogs useful in treating thrombotic and vasopastic disease have the structural formula STR1 wherein m is 1, 2 or 3; n is 1, 2, 3 or 4; Z is --(CH2)2 --, --CH=CH-- or STR2 wherein Y is O, a single bond or vinyl, with the proviso that when n is 0, if Z is STR3 then Y cannot be O, and Z is --CH=CH--, n is 1, 2, 3 or 4; and when Y=vinyl, n=0; R is CO2 H, CO2 lower alkyl, CH2 OH, CO2 alkali metal, CONHSOR3, CONHR3a or --CH2 --5-tetrazolyl, X is O, S or NH; and where R1, R2, R3 and R3a are as defined herein.