491-30-5

Basic information

• Product Name: Isocarbostyril
• Synonyms: ISOCARBOSTYRIL;ISOQUINOLIN-1(2H)-ONE;ISOQUINOLIN-1-OL;1-Hydroxyisoquinoline,97%;Isocarbostyril 98%;Isocarbostyril (VAN) (8CI);Isoquinolin-1-one;isoquinolin-1(2H)-one analogue
• CAS NO: 491-30-5
• Molecular Formula: C9H7NO
• Molecular Weight: 145.16
• EINECS: 207-732-1
• Product Categories: Quinolines, Quinazolines and derivatives;Heterocyclic Series;Quinoline&Isoquinoline;Aromatics Compounds;Quinolines;Aromatics;Bases & Related Reagents;Heterocycles;Nucleotides
• Mol File: 491-30-5.mol
• Article Data: 61

Chemical Properties

• Melting Point: 212-216 °C
• Boiling Point: 376.252 °C at 760 mmHg
• Flash Point: 218.788 °C
• Appearance: White to pale brown/Powder or Crystalline Powder
• Density: 1.189 g/cm³
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly, Heated), Methanol (Slightly)
• PKA: 13.62±0.20(Predicted)
• BRN: 2954
• CAS DataBase Reference: Isocarbostyril(CAS DataBase Reference)
• NIST Chemistry Reference: Isocarbostyril(491-30-5)
• EPA Substance Registry System: Isocarbostyril(491-30-5)

Safety Data

• Statements: 36/37/38
• Safety Statements: 22-24/25-37-26
• WGK Germany: 3
• TSCA: N
• Hazardous Substances Data: 491-30-5(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Solid

Uses

1-Hydroxyisoquinoline (cas# 491-30-5) is a compound useful in organic synthesis.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 27, p. 1419, 1990 DOI: 10.1002/jhet.5570270544The Journal of Organic Chemistry, 21, p. 1337, 1956 DOI: 10.1021/jo01118a001Synthesis, p. 791, 1983 DOI: 10.1055/s-1983-30513

InChI:InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)

Upstream product

• 1532-72-5 isoquinoline N-oxide 
• 116833-54-6 4-toluenesulfonyl-sulfonyl-18O₂ 
• 491-30-5 1-hydroxyisoquinoline 
• 23206-20-4 4-hydroxy-3,4-dihydroisoquinolin-1(2H)-one 
• 438451-75-3 1,2-dimethyl-3-(isoquinolin-1-yloxymethyl)-5-methoxy-1H-indole-4,7-dione 
• 119609-36-8 isonitroso phenacyl isoquinolinium bromide 
• 61650-22-4 N-(pivaloyloxy)benzamide 
• 495-18-1 Benzohydroxamic acid 
• 2446-51-7 N-methoxybenzamide 
• 5176-28-3 N-Boc-7-azabenzobicyclo[2.2.1]heptadiene 
• 873-32-5 2-Chlorobenzonitrile 
• 138313-23-2 2-<(trifluoromethanesulfonyl)oxy>benzonitrile 
• 119-65-3 isoquinoline 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 

Downstream Products

• 15793-94-9 1-hydrazino-isoquinoline 
• 144319-68-6 2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2H-isoquinolin-1-one 
• 125030-80-0 2-(2-propynyl)-1(2H)-isoquinolinone 
• 4594-71-2 N-methylisocarbostyril 
• 491-30-5 1-hydroxyisoquinoline 
• 19493-44-8 1-chloroisoquinoline 
• 1196-38-9 3,4-dihydroisoquinolin-1(2H)-one 
• 26345-15-3 5,6,7,8-tetrahydro-1(2H)-isoquinolinone 
• 83696-69-9 2-propylisoquinolin-1(2H)-one 
• 256478-05-4 4-Bromo-1-chloro-7-isoquinolinesulphonyl chloride 
• 3951-95-9 4-bromo-1,2-dihydroisoquinolin-1-one 
• 1253388-37-2 C₂₃H₁₅NO 
• 59168-21-7 2-benzyl-1-(2H)-isoquinoline ketone 

Relevant articles and documents

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Efficient visible light mediated synthesis of quinolin-2(1H)-ones from quinolineN-oxides

Quinolin-2(1H)-ones are one of the important classes of compounds due to their prevalence in natural products and in pharmacologically useful compounds. Here we present an unconventional and hitherto unknown photocatalytic approach to their synthesis from easily available quinoline-N-oxides. This reagent free highly atom economical photocatalytic method, with low catalyst loading, high yield and no undesirable by-product, provides an efficient greener alternative to all conventional synthesis reported to date. The robustness of the methodology has been successfully demonstrated with easy scaling up to the gram scale.

Ruthenium(II)-Catalyzed C?H Activation/Annulation of Aromatic Hydroxamic Acid Esters with Enamides Leading to Aminal Motifs

Hydroxamic acid ester directed C(sp2)?H activation/annulation strategy has been reported employing electron-rich enamides under Ru(II)-catalysis to access aminal frameworks. Both N-vinyl acetamide and N-vinyl formamide delivered aminals bearing

Site-Selective Acceptorless Dehydrogenation of Aliphatics Enabled by Organophotoredox/Cobalt Dual Catalysis

The value of catalytic dehydrogenation of aliphatics (CDA) in organic synthesis has remained largely underexplored. Known homogeneous CDA systems often require the use of sacrificial hydrogen acceptors (or oxidants), precious metal catalysts, and harsh reaction conditions, thus limiting most existing methods to dehydrogenation of non- or low-functionalized alkanes. Here we describe a visible-light-driven, dual-catalyst system consisting of inexpensive organophotoredox and base-metal catalysts for room-temperature, acceptorless-CDA (Al-CDA). Initiated by photoexited 2-chloroanthraquinone, the process involves H atom transfer (HAT) of aliphatics to form alkyl radicals, which then react with cobaloxime to produce olefins and H2. This operationally simple method enables direct dehydrogenation of readily available chemical feedstocks to diversely functionalized olefins. For example, we demonstrate, for the first time, the oxidant-free desaturation of thioethers and amides to alkenyl sulfides and enamides, respectively. Moreover, the system's exceptional site selectivity and functional group tolerance are illustrated by late-stage dehydrogenation and synthesis of 14 biologically relevant molecules and pharmaceutical ingredients. Mechanistic studies have revealed a dual HAT process and provided insights into the origin of reactivity and site selectivity.