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122852-75-9

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Basic Information
CAS No.: 122852-75-9
Name: 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
Article Data: 4
Molecular Structure:
Molecular Structure of 122852-75-9 (2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one)
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
Related products
Synthetic route

C18H18N2O2

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In toluene at 110℃; Inert atmosphere;94%
122852-78-2

2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indol-1-one

74-88-4

methyl iodide

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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%
122852-78-2

2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indol-1-one

77-78-1

dimethyl sulfate

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
With sodium hydroxide In water; acetone
139122-76-2

5,6-dihydro-4-(2-methyl-2-phenylhydrazino)-2(1H)-pyridinone

7664-93-9

sulfuric acid

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
With sodium hydroxide In water
With sodium hydroxide In water; acetic acid
1416349-23-9

N-(4-(2-aminophenyl)but-3-yn-1-yl)-4-methylbenzenesulfonamide

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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
1000205-65-1

2-(4-(N-tosyl)amino-1-butynyl)-N-tosylaniline

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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-2,5-ditosyl-1H-pydrido[4,3-b]indole-1-one

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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-2-tosyl-1H-pydrido[4,3-b]indole-1-one

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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
615-43-0

2-iodophenylamine

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
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

C19H18N2O3S

122852-75-9

2,3,4,5-tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Conditions
ConditionsYield
With sodium anthracenide In 1,2-dimethoxyethane at -78℃; for 1h; Schlenk technique; Inert atmosphere;4.6437 g
Raw Materials
74-88-4
7664-93-9
139122-76-2
77-78-1
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Chemistry

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

Specification

 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 .