Identification | Back 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 Properties | Back 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 |
Hazard Information | Back Directory | [Synthesis]
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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