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CAS No.: | 122852-75-9 |
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Name: | 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H12N2O |
Molecular Weight: | 200.24 |
Synonyms: | 5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one; |
Density: | 1.316 g/cm3 |
Melting Point: | 234-238 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 508.047 °C at 760 mmHg |
Flash Point: | 261.057 °C |
PSA: | 34.03000 |
LogP: | 1.79300 |
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
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With boron trifluoride diethyl etherate In toluene at 110℃; Inert atmosphere; | 94% |
2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indol-1-one
methyl iodide
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Stage #1: 2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indol-1-one With sodium hexamethyldisilazane In N,N-dimethyl-formamide at 5℃; for 0.333333h; Inert atmosphere; Stage #2: methyl iodide In N,N-dimethyl-formamide at 5℃; for 0.333333h; | 72% |
2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indol-1-one
dimethyl sulfate
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone |
5,6-dihydro-4-(2-methyl-2-phenylhydrazino)-2(1H)-pyridinone
sulfuric acid
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
With sodium hydroxide In water | |
With sodium hydroxide In water; acetic acid |
N-(4-(2-aminophenyl)but-3-yn-1-yl)-4-methylbenzenesulfonamide
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: pyridine / dichloromethane / 12 h / 0 - 20 °C / Schlenk technique; Inert atmosphere 2.1: diethylzinc / toluene; dimethyl sulfoxide / 10 h / 25 °C / 760.05 Torr / Schlenk technique 2.2: 3 h / 0 - 20 °C / Schlenk technique; Inert atmosphere 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / Schlenk technique; Reflux 4.1: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Schlenk technique 5.1: sodium anthracenide / 1,2-dimethoxyethane / 1 h / -78 °C / Schlenk technique; Inert atmosphere View Scheme |
2-(4-(N-tosyl)amino-1-butynyl)-N-tosylaniline
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: diethylzinc / toluene; dimethyl sulfoxide / 10 h / 25 °C / 760.05 Torr / Schlenk technique 1.2: 3 h / 0 - 20 °C / Schlenk technique; Inert atmosphere 2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / Schlenk technique; Reflux 3.1: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Schlenk technique 4.1: sodium anthracenide / 1,2-dimethoxyethane / 1 h / -78 °C / Schlenk technique; Inert atmosphere View Scheme |
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / Schlenk technique; Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Schlenk technique 3: sodium anthracenide / 1,2-dimethoxyethane / 1 h / -78 °C / Schlenk technique; Inert atmosphere View Scheme |
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Schlenk technique 2: sodium anthracenide / 1,2-dimethoxyethane / 1 h / -78 °C / Schlenk technique; Inert atmosphere View Scheme |
2-iodophenylamine
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / dimethyl sulfoxide / 16 h / 45 °C / Schlenk technique; Inert atmosphere 2.1: pyridine / dichloromethane / 12 h / 0 - 20 °C / Schlenk technique; Inert atmosphere 3.1: diethylzinc / toluene; dimethyl sulfoxide / 10 h / 25 °C / 760.05 Torr / Schlenk technique 3.2: 3 h / 0 - 20 °C / Schlenk technique; Inert atmosphere 4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / Schlenk technique; Reflux 5.1: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Schlenk technique 6.1: sodium anthracenide / 1,2-dimethoxyethane / 1 h / -78 °C / Schlenk technique; Inert atmosphere View Scheme |
2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Conditions | Yield |
---|---|
With sodium anthracenide In 1,2-dimethoxyethane at -78℃; for 1h; Schlenk technique; Inert atmosphere; | 4.6437 g |
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Following is the structure of 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one (CAS NO.122852-75-9):
Empirical Formula: C12H12N2O
Molecular Weight: 200.2365 g/mol
Molar Refractivity: 57.876 cm3
Molar Volume: 152.137 cm3
Density: 1.316 g/cm3
Flash Point: 261.057 °C
Index of Refraction: 1.686
Surface Tension: 50.375 dyne/cm
Enthalpy of Vaporization of 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one (CAS NO.122852-75-9): 77.828 kJ/mol
Boiling Point of 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one (CAS NO.122852-75-9): 508.047 °C at 760 mmHg
SMILES: O=C3NCCc2c3c1c(cccc1)n2C
InChI: InChI=1/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)
InChIKey: GLHMAFAXJJECMG-UHFFFAOYAH
2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one , its cas register number is 122852-75-9. It also can be called 1H-pyrido[4,3-b]indol-1-one, 2,3,4,5-tetrahydro-5-methyl- ; 5-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one .