4388-92-5

Usage

Uses

Used in Pharmaceutical Industry:
3-OXOHEXANENITRILE is utilized as a key building block for the synthesis of various pharmaceuticals. Its chemical structure allows it to be a versatile component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3-OXOHEXANENITRILE is employed as an intermediate in the production of different agrochemicals. Its role is pivotal in formulating solutions that address agricultural challenges, such as pest control and crop protection.
Used in Specialty Chemicals:
3-OXOHEXANENITRILE also serves as a fundamental component in the synthesis of specialty chemicals, which are tailored for specific industries and applications, highlighting its importance in the chemical manufacturing process.
Used in Perfumery and Cosmetics:
3-OXOHEXANENITRILE is used as a flavor and fragrance ingredient in perfumes and cosmetics. Its strong, fruity odor makes it a valuable addition to these products, enhancing their sensory appeal and consumer experience.
Safety Considerations:
Given its moderately toxic nature, 3-OXOHEXANENITRILE can cause skin and eye irritation, as well as respiratory and digestive tract irritation if ingested or inhaled. Therefore, it is crucial to handle 3-OXOHEXANENITRILE with care and adhere to safety guidelines to mitigate potential health risks.

InChI:InChI=1/C6H9NO/c1-2-3-6(8)4-5-7/h2-4H2,1H3

Upstream product

• 105-54-4 butanoic acid ethyl ester 
• 75-05-8 acetonitrile 
• 90643-63-3 2-cyano-3-oxo-hexanoic acid ethyl ester 
• 19265-24-8 1-chloropentane-2-one 
• 7732-18-5 water 
• 151-50-8 potassium cyanide 
• 372-09-8 cyanoacetic acid 
• 141-75-3 butyryl chloride 
• 623-42-7 butanoic acid methyl ester 

Downstream Products

• 3249-68-1 ethyl butyroyl acetate 
• 138134-15-3 5-Propyl-1-(2,4,6-trichloro-phenyl)-1H-pyrazole-4-carbonitrile 
• 138134-04-0 1-<5-amino-1-(2,4,6-trichlorophenyl)pyrazol-4-yl>butan-1-one 
• 747411-47-8 3-propylisoxazol-5-amine 
• 56367-26-1 5-propyl-3-amino-1H-pyrazole 
• 851579-03-8 methyl 5-{[(tert-butoxycarbonyl)amino]methyl}-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851579-01-6 methyl 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851579-00-5 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851578-99-9 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-propyl-1,4-dihydropyridine-3-carboxylate 
• 851579-04-9 5-{[(tert-butoxycarbonyl)amino]methyl}-2-methyl-4-(4-methylphenyl)-6-propylnicotinic acid 
• 1280199-34-9 (4R,6S)-6-hydroxy-4-phenyl-2-propyl-6-(trichloromethyl)-5,6-dihydro-4H-pyran-3-carbonitrile 

Relevant academic research and scientific papers

Continuous Flow Sodiation of Substituted Acrylonitriles, Alkenyl Sulfides and Acrylates

The sodiation of substituted acrylonitriles and alkenyl sulfides in a continuous flow set-up using NaDA (sodium diisopropylamide) in EtNMe2 or NaTMP (sodium 2,2,6,6-tetramethylpiperidide)?TMEDA in n-hexane provides sodiated acrylonitriles and alkenyl sulfides, which are subsequently trapped in batch with various electrophiles such as aldehydes, ketones, disulfides and allylic bromides affording functionalized acrylonitriles and alkenyl sulfides. This flow-procedure was successfully extended to other acrylates by using Barbier-type conditions.

Identification of diphenylalkylisoxazol-5-amine scaffold as novel activator of cardiac myosin

To identify novel potent cardiac myosin activator, a series of diphenylalkylisoxazol-5-amine compounds 4–7 have been synthesized and evaluated for cardiac myosin ATPase activation. Among the 37 compounds, 4a (CMA at 10 μM = 81.6%), 4w (CMA at 10 μM = 71.2%) and 6b (CMA at 10 μM = 67.4%) showed potent cardiac myosin activation at a single concentration of 10 μM. These results suggested that the introduction of the amino-isoxazole ring as a bioisostere for urea group is acceptable for the cardiac myosin activation. Additional structure–activity relationship (SAR) studies were conducted. Para substitution (-Cl, –OCH3, -SO2N(CH3)2) to the phenyl rings or replacement of a phenyl ring with a heterocycle (pyridine, piperidine and tetrahydropyran) appeared to attenuate cardiac myosin activation at 10 μM. Additional hydrogen bonding acceptor next to the amino group of the isoxazoles did not enhance the activity. The potent isoxazole compounds showed selectivity for cardiac myosin activation over skeletal and smooth muscle myosin, and therefore these potent and selective isoxazole compounds could be considered as a new series of cardiac myosin ATPase activators for the treatment of systolic heart failure.

Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors

The present invention relates to the pyrazoloquinazolinone and pyrroloquinazolinone derivatives of the general formula (I), as well as pharmaceutical compositions containing them, and their use in the treatment and/or prophylaxis of conditions associated with altered glutamatergic signalling and/or functions, and/or conditions which can be affected by alteration of glutamate level or signalling in mammals, in particular their use in the treatment and/or prophylaxis of acute and chronic neurological and/or psychiatric disorders.

SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS

The present invention relates to the pyrazoloquinazolinone and pyrroloquinazolinone derivatives of the general formula (I), as well as pharmaceutical compositions containing them, and their use in the treatment and/or prophylaxis of conditions associated with altered glutamatergic signalling and/or functions, and/or conditions which can be affected by alteration of glutamate level or signalling in mammals, in particular their use in the treatment and/or prophylaxis of acute and chronic neurological and/or psychiatric disorders.

Discovery of a 3-pyridylacetic acid derivative (TAK-100as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor

Inhibition of dipeptidyl peptidase IV (DPP-4is an exciting new approach for the treatment of diabetes. To date there has been no DPP-4 chemotype possessing a carboxy group that has progressed into clinical trials. Originating from the discovery of the str

FUSED HETEROCYCLIC COMPOUNDS

A compound represented by the formula wherein ring A is an optionally substituted 5- to 10-membered aromatic ring; R1 and R2 are the same or different and each is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; X and Y are the same or different and each is a bond, -O-, -S-, -SO-, -SO?2#191- or -NR3- (R3 is a hydrogen atom or an optionally substituted hydrocarbon group); and L is a divalent hydrocarbon group, or a salt thereof shows a superior peptidase-inhibitory activity and is useful as a prophylactic or therapeutic agent of diabetes and the like.

A new β-keto amide synthesis

In a modification of the Wierenga-Skulnick β-ketoester synthesis, the dianions of malonic acid mono-amides were condensed with acid chlorides. Acidic workup led to decarboxylation and isolation of the corresponding β-keto amides in good-to-excellent yield

SUBSTITUTED IMIDAZOPYRIDAZINES AS ANGIOTENSIN II ANTAGONISTS

Novel substituted imidazopyridazines of formula (I) which are useful as angiotensin II antagonists, are disclosed. STR1

SUBSTITUTED PYRAZOLOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS

Novel substituted pyrazolopyrimidines of formula (I) which are useful as angiotensin II antagonists, are disclosed. STR1