41654-04-0

Basic information

• Product Name: 5-methyl-4-oxo-hexanoic acid
• Synonyms: Hexanoic acid, 5-methyl-4-oxo-
• CAS NO: 41654-04-0
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• Mol File: 41654-04-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 260.2 °C at 760 mmHg
• Flash Point: 125.4 °C
• Appearance: /
• Density: 1.058 g/cm³
• Vapor Pressure: 0.0037mmHg at 25°C
• Refractive Index: 1.441
• CAS DataBase Reference: 5-methyl-4-oxo-hexanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-4-oxo-hexanoic acid(41654-04-0)
• EPA Substance Registry System: 5-methyl-4-oxo-hexanoic acid(41654-04-0)

Safety Data

• Hazardous Substances Data: 41654-04-0(Hazardous Substances Data)

Usage

General Description

5-methyl-4-oxo-hexanoic acid, also known as 5-methyl-4-oxohexanoic acid or 5-methyl-4-oxovaleric acid, is an organic compound with the molecular formula C7H12O3. It is a carboxylic acid that belongs to the class of ketones and aldehydes. This acid is a colorless liquid with a penetrating odor and is soluble in water. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and industrial chemicals. Additionally, it is also used as a flavoring agent in food products. The compound's properties make it useful in various chemical and industrial applications, making it a valuable substance in the field of chemistry.

InChI:InChI=1/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)

Upstream product

• 81659-63-4 2-hydroxy-5-isopropylidene-Δ¹-pyrroline 
• 108-30-5 succinic acid anhydride 
• 23426-63-3 2-bromo-2-methylpropionic acid methyl ester 
• 344303-58-8 2-Isopropyl-2-methoxycyclopropancarbonsaeure-ethylester 
• 51776-45-5 2-methoxy-3-methyl-but-1-ene 
• 409108-65-2 3-methyl-2-morpholin-4-yl-butyronitrile 
• 292638-85-8 acrylic acid methyl ester 
• 1068-55-9 isopropylmagnesium chloride 
• 4436-73-1 3-isopropyl-hex-2-enedioic acid 
• 81659-65-6 3-(4,4-dimethyl-5-keto-3-isoxazole)propionic acid 
• 344294-24-2 2-Isopropyl-2-methoxycyclopropancarbonsaeure 
• 69527-64-6 1-ethyl 2,2-dimethyl-3-oxohexanedioate 
• 123-25-1 succinic acid diethyl ester 
• 1619-28-9 3-isopropyl-cyclopent-2-enone 

Downstream Products

• 210230-80-1 6-isopropyl-4,5-dihydro-3(2H) pyridazinone 
• 1444311-44-7 2-[3-isopropyl-5-(3-methoxybenzyl)-6-oxopyridazin-1(6H)-yl]acetic acid 
• 1444311-28-7 ethyl 2-[3-isopropyl-5-(3-methoxybenzyl)-6-oxopyridazin-1(6H)-yl]acetate 
• 1444311-17-4 6-isopropyl-4-(3-methoxybenzyl)pyridazin-3(2H)-one 
• 54857-48-6 ethyl 5-methyl-4-oxohexanoate 
• 63328-12-1 (5R)-5-(prop-2-yl)pyrrolidin-2-one 

Relevant articles and documents

Enantioselective synthesis of sabina ketone

Both enantiomers of sabina ketone were efficiently prepared via an easy synthesis of 1-diazo-5-methylene-6-methylheptan-2-one, starting from succinic anhydride, followed by its highly enantioselective cyclization catalyzed by chiral dirhodium(II) compound

Synthesis of γ-, δ-, and ε-lactams by asymmetric transfer hydrogenation of N-(tert-butylsulfinyl)iminoesters

Highly enantiomerically enriched γ- and δ-lactams have been prepared by a simple and very efficient procedure that involves the asymmetric transfer hydrogenation of N-(tert-butylsulfinyl)iminoesters followed by desulfinylation of the nitrogen atom and spo

C-nitroso compounds and use thereof

A C-nitroso compound having a molecular weight ranging from about 225 to about 1,000 (from about 225 to about 600 for oral administration) on a monomeric basis wherein a nitroso group is attached to a tertiary carbon, which is obtained by nitrosylation of a carbon acid having a pKa less than about 25, is useful as an NO donor. When the compound is obtained from a carbon acid with a pKa less than about 10, it provides vascular relaxing effect when used at micromolar concentrations and this activity is potentiated by glutathione to be obtained at nanomolar concentrations. When the compound is obtained from a carbon acid with a pKa ranging from about 15 to about 20, vascular relaxing effect is obtained at nanomolar concentrations without glutathione. The compound is preferably water-soluble and preferably contains a carbon alpha to the nitrosylated carbon which is part of a ketone group. In one embodiment, the C-nitroso compound is obtained by nitrosylation of a conventional drug or such drug modified to modify the carbon acid pKa thereof When such drug is a nonsteroidal anti-inflammatory drug, the resulting C-nitroso compound functions as a COX-1 and COX-2 inhibitor without the deleterious effects associated with COX-1 inhibition but with the advantageous effects associated with COX-1 and COX-2 inhibition. One such C-nitroso compound is a nitrosoketoibuprofen. A specific example of this kind of compound is isolated as dimeric 2-[4′-(α-nitroso)isobutyrylphenyl] propionic acid. In another case, the C-nitroso compound contains the moiety where X is S, O or NR One embodiment is directed to COX-2 inhibitors where a tertiary carbon atom and/or an oxygen atom and/or a sulfur atom is nitrosylated.