23459-13-4

Basic information

• Product Name: 4,4-DIMETHYL-3-OXO-PENTANAL
• Synonyms: 4,4-DIMETHYL-3-OXO-PENTANAL;4,4-dimethyl-3-oxovaleraldehyde;3-Oxo-4,4-dimethylpentanal;Einecs 245-672-8;Pentanal, 4,4-dimethyl-3-oxo-
• CAS NO: 23459-13-4
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17
• EINECS: 245-672-8
• Mol File: 23459-13-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 165.4°Cat760mmHg
• Flash Point: 55.5°C
• Appearance: /
• Density: 0.924g/cm³
• Vapor Pressure: 1.87mmHg at 25°C
• Refractive Index: 1.414
• PKA: 6.03±0.23(Predicted)
• CAS DataBase Reference: 4,4-DIMETHYL-3-OXO-PENTANAL(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DIMETHYL-3-OXO-PENTANAL(23459-13-4)
• EPA Substance Registry System: 4,4-DIMETHYL-3-OXO-PENTANAL(23459-13-4)

Safety Data

• Hazardous Substances Data: 23459-13-4(Hazardous Substances Data)

Usage

General Description

4,4-Dimethyl-3-oxo-pentanal is a chemical compound used primarily in laboratory settings for various testing and experimental purposes. As part of the aldehyde family of organic compounds, it features groupings of a carbonyl center with a hydrogen side, indicative of its structural formula. 4,4-DIMETHYL-3-OXO-PENTANAL is classified under the CAS registry number 70788-29-9. When handling 4,4-Dimethyl-3-oxo-pentanal, it is crucial to follow safety guidelines due to its potential reactivity, and the risks commonly associated with organic compounds. In particular, exposure to the compound can potentially irritate the skin and eyes, underlining the need for protective equipment during its handling and use. Therefore, it should always be stored and disposed of carefully to prevent harm or environmental damage.

InChI:InChI=1/C7H12O2/c1-7(2,3)6(9)4-5-8/h5H,4H2,1-3H3

Upstream product

• 75-97-8 3,3-dimethyl-butan-2-one 
• 109-94-4 formic acid ethyl ester 
• 110-45-2 isopentyl formate 

Downstream Products

• 23471-32-1 1,3,5-tripivaloylbenzene 
• 143620-74-0 4,4-Dimethyl-3-oxo-pentanal O-benzyl-oxime 
• 143620-65-9 (Z)-1-(Benzyl-hydroxy-amino)-4,4-dimethyl-pent-1-en-3-one 
• 143620-66-0 C₁₆H₂₁NO₃ 
• 143621-18-5 N-Benzyloxy-N-((E)-4,4-dimethyl-3-oxo-pent-1-enyl)-acetamide 
• 15802-80-9 3-tert-butyl-1H-pyrazole 
• 23459-14-5 1,3,5-tris(1-hydroxy-2,2-dimethylpropyl)benzene 
• 23459-12-3 1,3,5-tris(1-hydroxy-1,2,2-trimethylpropyl)benzene 

Relevant articles and documents

Copper-Catalyzed Oxy-Alkenylation of Homoallylic Alcohols to Generate Functional syn-1,3-Diol Derivatives

A novel method for the synthesis of a wide range of functionalized 1,3-diol derivatives is reported. Employing a copper-catalyzed oxy-alkenylation strategy, a range of readily available, substituted homoallylic alcohol derivatives and alkenyl(aryl) iodonium salts combine to form syn-1,3-carbonates in excellent yield and with high selectivity. Furthermore, the products formed are amenable to an iterative reaction sequence, thus affording highly complex polyketide-like fragments. Polyols: The reported copper-catalyzed oxy-alkenylation strategy works well for a range of readily available, substituted homoallylic alcohol derivatives and alkenyl(aryl) iodonium salts to form syn-1,3-carbonates in excellent yield and high selectivity. Furthermore, the products formed are amenable to an iterative reaction sequence, thus affording highly complex polyketide-like fragments.

Synthesis, Chemical, and Biological Properties of Vinylogous Hydroxamic Acids: Dual Inhibitors of 5-Lipoxygenase and IL-1 Biosynthesis

Vinylogous hydroxamic acids (3-N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents.The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described.The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of the three reagents: a 1,3-dicarbonyl compound (method A); a vinylogous amide (method B); or an alkynone (method C).The VHAs exist as one or more tautomers in solution with the relative proportions of each being dependent upon the structure of the VHA, solvent, and pH.VHAs undergo some of the typical reactions of hydroxamic acids as well as those of vinylogous amides.VHAs are active as inhibitors of 5-lipoxygenase and of IL-1 biosynthesis in vitro, which do not inhibit other enzymes of the arachidonic acid cascade.They have been shown by ESR studies to bring about inhibition of soybean type 1 15-lipoxygenase by reduction of the active site iron.