ChemicalBook--->CAS DataBase List--->24188-72-5

24188-72-5

24188-72-5 Structure

24188-72-5 Structure
IdentificationBack Directory
[Name]

5-METHYL-2H-ISOQUINOLIN-1-ONE
[CAS]

24188-72-5
[Synonyms]

5-Methylisoquinolin-1-ol
5-Methylisoquinolin-1(2H)
5-methylisoquinolin-1(2H)-one
5-methyl-1(2H)-isoquinolinone
5-METHYL-2H-ISOQUINOLIN-1-ONE
5-Methyl-2H-Isoquinoline-1-one
1(2H)-Isoquinolinone, 5-methyl-
5-methyl-1,2-dihydroisoquinolin-1-one
[Molecular Formula]

C10H9NO
[MDL Number]

MFCD07357397
[MOL File]

24188-72-5.mol
[Molecular Weight]

159.18
Chemical PropertiesBack Directory
[Boiling point ]

400.5±45.0 °C(Predicted)
[density ]

1.150±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

13.12±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYL-2H-ISOQUINOLIN-1-ONE(24188-72-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Propenoyl azide, 3-(2-methylphenyl)-, (2E)-

872509-52-9

5-METHYL-2H-ISOQUINOLIN-1-ONE

24188-72-5

Synthesis of Intermediate-3: 5-Methylisoquinolin-1(2H)-one: o-Methylcinnamoyl azide (Intermediate-2) (10 g, 53.5 mmol) was dissolved in toluene (100 mL) with stirring and heated to 110±2°C for 1 hour. After completion of the reaction, the toluene solvent was removed under reduced pressure, 1,2-dichlorobenzene (DCB) (100 mL) and iodine (catalytic amount) were added, and the reaction mixture was heated to 180±2°C and kept reacting overnight. At the end of the reaction, the solvent was removed under reduced pressure and the product was purified by recrystallization (ethyl acetate: hexane = 90:10) to afford the target compound 5-methylisoquinolin-1(2H)-one (4 g, 45% yield).

[References]

[1] Patent: US2013/178457, 2013, A1. Location in patent: Paragraph 0175
[2] Patent: WO2013/5168, 2013, A2. Location in patent: Page/Page column 33
[3] Journal of the Chemical Society - Perkin Transactions 1, 1997, # 8, p. 1147 - 1156
[4] Journal of Heterocyclic Chemistry, 2001, vol. 38, # 4, p. 961 - 964
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