71510-41-3

Basic information

• Product Name: 2-(5-OXO-HEXYL)-ISOINDOLE-1,3-DIONE
• Synonyms: 2-(5-OXO-HEXYL)-ISOINDOLE-1,3-DIONE
• CAS NO: 71510-41-3
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.2738
• Mol File: 71510-41-3.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 412.5°C at 760 mmHg
• Flash Point: 188.4°C
• Appearance: /
• Density: 1.206g/cm³
• Vapor Pressure: 5.14E-07mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 2-(5-OXO-HEXYL)-ISOINDOLE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(5-OXO-HEXYL)-ISOINDOLE-1,3-DIONE(71510-41-3)
• EPA Substance Registry System: 2-(5-OXO-HEXYL)-ISOINDOLE-1,3-DIONE(71510-41-3)

Safety Data

• Hazardous Substances Data: 71510-41-3(Hazardous Substances Data)

Usage

General Description

2-(5-oxo-hexyl)-isoindole-1,3-dione is a chemical compound with the molecular formula C13H15NO3. It is a derivative of isoindole-1,3-dione, which is a type of organic compound known for its use in various chemical and pharmaceutical applications. This particular compound contains a hexyl group and a ketone functional group, making it a potential candidate for use in the development of new drugs or as an intermediate in organic synthesis. Its specific properties and potential uses would depend on further research and testing, but it represents a promising avenue for further exploration in the field of organic chemistry.

InChI:InChI=1/C14H15NO3/c1-10(16)6-4-5-9-15-13(17)11-7-2-3-8-12(11)14(15)18/h2-3,7-8H,4-6,9H2,1H3

Upstream product

• 10297-06-0 1-chloro-5-hexyne 
• 1074-82-4 potassium phtalimide 
• 6097-08-1 2-(hex-5-yn-1-yl)isoindole-1,3-dione 
• 95691-09-1 5-phthalimido-1-pentanal 
• 2508-29-4 5-hydroxypentylamine 
• 85-44-9 phthalic anhydride 
• 63273-48-3 5-phthalimido-1-pentanol 
• 3128-07-2 6-oxoheptanoic acid 
• 10226-30-9 6-chloro-2-hexanone 
• 136918-14-4 phthalimide 
• 10226-29-6 6-Bromo-2-hexanone 
• 5460-29-7 2-(3-bromopropyl)isoindole-1,3-dione 
• 105-45-3 acetoacetic acid methyl ester 
• 56721-54-1 6-oxoheptanoic acid chloride 

Downstream Products

• 850032-89-2 N,N'-bis(5-oxohexyl)isophthalamide 
• 850032-91-6 isophthalic acid N,N'-bis[5,5-bis(1H-pyrrol-2-yl)hexyl]amide 

Relevant articles and documents

Gold N-Heterocyclic Carbene Catalysts for the Hydrofluorination of Alkynes Using Hydrofluoric Acid: Reaction Scope, Mechanistic Studies and the Tracking of Elusive Intermediates

An efficient and chemoselective methodology deploying gold-N-heterocyclic carbene (NHC) complexes as catalysts in the hydrofluorination of terminal alkynes using aqueous HF has been developed. Mechanistic studies shed light on an in situ generated catalyst, formed by the reaction of Br?nsted basic gold pre-catalysts with HF in water, which exhibits the highest reactivity and chemoselectivity. The catalytic system has a wide alkyl substituted-substrate scope, and stoichiometric as well as catalytic reactions with tailor-designed gold pre-catalysts enable the identification of various gold species involved along the catalytic cycle. Computational studies aid in understanding the chemoselectivity observed through examination of key mechanistic steps for phosphine- and NHC-coordinated gold species bearing the triflate counterion and the elusive key complex bearing a bifluoride counterion.

UR-DEBa242: A Py-5-Labeled Fluorescent Multipurpose Probe for Investigations on the Histamine H3 and H4 Receptors

Comprehensively characterized fluorescent probes for the histamine H3 receptor (H3R) and especially for the H4R orthologs [e.g., human (h) and mouse (m)] are highly needed as versatile complementary tools to radioligands. In view of fluorescent probes for BRET-based binding studies and for localizing the H4R in live cells, we synthesized and biologically characterized Py-5-labeled histamine derivatives. The most notable compound was UR-DEBa242 (26, 1-[4-(1H-Imidazol-4-yl)butyl]-4-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl}-2,6-dimethylpyridinium hydrotrifluoroacetate trifluoroacetate), acting as a partial agonist at the hH3R [pEC50 (reporter gene) 8.77] and as an inverse agonist/antagonist at the h/mH4Rs [pIC50 (reporter gene) 8.76/7.08; pIC50/pKb (β-arrestin2) 7.81/7.30]. In confocal microscopy, 26 proved suitable for hH4R localization and trafficking studies in live cells. BRET-based binding at the NLuc-hH3,4Rs/mH4R [pKd 8.78/7.75/7.18, comparable to binding constants from radioligand binding/flow cytometry; fast association/dissociation (a?2 min)] revealed 26 as a useful molecular tool to determine hH3,4Rs/mH4R binding affinities of ligands binding to these receptors.

Cobaloxime-catalyzed hydration of terminal alkynes without acidic promoters

Cobaloxime (Co(dmgBF2)2·2H2O), an inexpensive first-row transition-metal complex, catalyzed hydration of terminal alkynes gave the corresponding methyl ketones in good to excellent yields under neutral conditions (additional protic acids and silver salts are not required). A wide range of functional groups, such as allyl ether, benzyl ethers, carboxylic esters, imides, amides, nitro, and halogens, were tolerated. The mild reaction conditions together with the inexpensive feature and easy availability of the catalyst well address the current challenges in the field of alkyne hydration.