9H-Pyrido[2,3-b]indole supplier

Name
alpha-carboline
EINECS 205-960-6
CAS No. 244-76-8
Article Data58
CAS DataBase
Density 1.302 g/cm³
Solubility
Melting Point 210-212 °C
Formula C₁₁H₈N₂
Boiling Point 372.942 °C at 760 mmHg
Molecular Weight 168.198
Flash Point 171.6 °C
Transport Information
Appearance Light Brown Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms alpha-Carboline;1H-Pyrido[2,3-b]indole(8CI,9CI);1,9-Diazafluorene;1-Azacarbazole;9H-1,9-Diazafluorene;NSC 67064;
PSA 28.68000
LogP 2.71610

Synthetic route

: 7076-11-1
5,6,7,8-tetrahydro-9H-pyrido<2,3-b>indole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With palladium on activated carbon In diphenylether at 210℃; for 0.66h; Inert atmosphere;	97%
With palladium on activated charcoal; diphenylether; biphenyl

: 1130816-42-0
8-phenyltetrazolo[1,5-a]pyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With silver hexafluoroantimonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In benzene at 130℃; for 24h; Solvent; Sealed tube; Glovebox; Inert atmosphere;	96%

: 54904-02-8
3-bromo-N-phenylpyridine-2-amine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine tetrafluoroborate In N,N-dimethyl acetamide; o-xylene at 145℃; for 16h; Inert atmosphere;	90%
With potassium tert-butylate; ammonia for 1h; Inert atmosphere; Irradiation;	88%
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; CyJohnPhos In N,N-dimethyl acetamide at 140℃; for 1h; Inert atmosphere;	76%

: 6604-94-0
3-chloro-N-phenyl-2-aminopyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane at 180℃; for 0.166667h; Microwave irradiation; sealed tube;	88%
Stage #1: 3-chloro-N-phenyl-2-aminopyridine With palladium diacetate; triphenylphosphine In N,N-dimethyl-formamide for 0.166667h; Graebe-Ullmann Synthesis; Inert atmosphere; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 130℃; for 48h; Graebe-Ullmann Synthesis; Inert atmosphere;	87%
With potassium tert-butylate; ammonia for 1h; Inert atmosphere; Irradiation;	75%

: 146141-05-1
2,2-dimethyl-N-(2-(2-fluoro-3-pyridyl)phenyl)propanamide

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With pyridine hydrochloride for 0.25h;	82%
With pyridine hydrochloride for 0.25h; Heating; cyclization of various o-pivaloylaminophenyl-o'-halopyridines;	82%

: 146141-06-2
2,2-dimethyl-N-(2-(2-chloro-3-pyridyl)phenyl)propanamide

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With pyridine hydrochloride for 0.25h;	82%

: 4253-80-9
3-(2-nitro-phenyl)-pyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; triphenylphosphine In 1,4-dioxane at 55℃; for 96h; Cadogan-Cameron Wood Cyclization; Inert atmosphere; Irradiation;	81%
With 1,10-Phenanthroline; carbon monoxide; palladium diacetate In N,N-dimethyl-formamide at 140℃; under 3102.89 Torr; for 16h;	74%

: 122-31-6
malondialdehyde bis(diethyl acetal)

: 36982-86-2
2-tosylamidoindole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With hydrogen bromide In ethanol at 80 - 100℃; for 1.5h;	76%

: 9-methoxymethyl-9H-pyrido[2,3-b]indole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With methanol; trifluorormethanesulfonic acid; trimethyl orthoformate In nitromethane at 100℃; for 1h;	74%

: 1497420-36-6
tert-butyl 3-((1E,3Z)-3-(methoxyimino)prop-1-en-1-yl)-1bH-indole-1-carboxylate

: 244-76-8
α-carboline

Conditions

Conditions	Yield
In 1,2-dichloro-benzene at 240℃; for 3h; Sealed tube; Microwave irradiation;	73%

: 62052-02-2
1-phenyl-1H-7-azabenzo[d][1,2,3]triazole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
In 1,4-dioxane for 15h; Irradiation;	61%

: 2-(2-methanesulfonylanilino)-pyridine

A: 245-47-6
benzo[4,5]imidazo[1,2-a]pyridine

B: 244-76-8
α-carboline

Conditions

Conditions	Yield
In tert-butyl alcohol for 4h; Cyclization; Irradiation;	A 3% B 59%

: 13174-93-1
1-(pyridin-2-yl)-1H-benzo[d][1,2,3]triazole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With polyphosphoric acid at 160 - 175℃; for 3h;	47%
With PPA at 150 - 160℃; for 2h;	36%
With pyrophosphoric acid at 170℃; for 0.00833333h; microwave irradiation;	34%

: 3-(4-trifluoromethylphenyl)-1,2,3-triazolo<4,5-b>pyridine

A: 244-76-8
α-carboline

B: 92755-42-5
2-aniline-3-hydroxypyridine

C: 1-azacarbazole-6-carboxylic acid

D: 3-hydroxy-2-anilinopyridine-4'-carboxylic acid

Conditions

Conditions	Yield
With PPA at 140 - 180℃; for 0.5h;	A 1.4% B 10.6% C 25.4% D 42.5%

...Expand

: ethyl 4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoate

A: 244-76-8
α-carboline

B: 92755-42-5
2-aniline-3-hydroxypyridine

C: 1-azacarbazole-6-carboxylic acid

D: 3-hydroxy-2-anilinopyridine-4'-carboxylic acid

Conditions

Conditions	Yield
With PPA at 140 - 180℃; for 0.5h;	A 4% B 12.8% C 23.5% D 35%
With PPA at 140 - 180℃; for 0.5h;	A 4% B 12.8% C 23.5% D 35%
With PPA at 140 - 180℃; for 0.5h;	A 4% B 12.8% C 23.5% D 35%

...Expand

: 2402-77-9
2,3-dichloro-pyridine

: 62-53-3
aniline

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Stage #1: 2,3-dichloro-pyridine; aniline With palladium diacetate; triphenylphosphine; sodium t-butanolate In o-xylene at 120℃; for 3h; Inert atmosphere; Darkness; Stage #2: With tri-tert-butyl phosphine; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl acetamide; o-xylene at 150℃; for 12h; Inert atmosphere;	33%
Stage #1: 2,3-dichloro-pyridine; aniline With sodium t-butanolate; palladium diacetate; triphenylphosphine In o-xylene at 120℃; for 3h; Inert atmosphere; Stage #2: palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine In ISOPROPYLAMIDE; o-xylene at 150℃; for 12h;
Multi-step reaction with 2 steps 1.1: palladium diacetate; triphenylphosphine; sodium t-butanolate / toluene / 0.17 h / 20 Torr / Inert atmosphere 1.2: 16 h / 100 °C / Inert atmosphere 2.1: palladium diacetate; triphenylphosphine / N,N-dimethyl-formamide / 0.17 h / Inert atmosphere 2.2: 48 h / 130 °C / Inert atmosphere View Scheme

: 109-09-1
2-chloropyridine

: 95-51-2
2-Chloroaniline

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; potassium tert-butylate In 1,4-dioxane; 5,5-dimethyl-1,3-cyclohexadiene at 120℃; for 20h;	10%

: 856849-78-0
3-(2-azidophenyl)pyridine

: 91-17-8
decalin

A: 244-69-9
γ-carboline

B: 244-76-8
α-carboline

Conditions

Conditions	Yield
at 180℃;

...Expand

: 856849-78-0
3-(2-azidophenyl)pyridine

A: 244-69-9
γ-carboline

B: 244-76-8
α-carboline

Conditions

Conditions	Yield
With decalin at 180℃;

: 87251-66-9
1-(N-L-triptophanyl)-1-deoxy-D-fructose

A: 67-47-0
5-hydroxymethyl-2-furfuraldehyde

B: 118-71-8
Maltol

C: 3420-59-5
isomaltol

D: 244-76-8
α-carboline

E: 73-22-3
L-Tryptophan

Conditions

Conditions	Yield
In water at 95℃; under 750.06 - 450036 Torr; Rate constant; Product distribution; various pressure; ΔV*;

...Expand

: 10199-67-4
1-benzylpyrazole

: 67-66-3
chloroform

A: 1722-12-9
2-chloropyrimidine

B: 7431-45-0
2-phenylpyrimidine

C: 244-76-8
α-carboline

Conditions

Conditions	Yield
at 550 - 555℃; Title compound not separated from byproducts;

...Expand

: 67-66-3
chloroform

: 50877-40-2
1-benzyl-4-chloro-1H-pyrazole

A: 7431-45-0
2-phenylpyrimidine

B: 10199-67-4
1-benzylpyrazole

C: 244-76-8
α-carboline

D: 3-chloro-9H-pyrido[2, 3-b]indole

Conditions

Conditions	Yield
at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 50877-40-2
1-benzyl-4-chloro-1H-pyrazole

A: 288-13-1
NH-pyrazole

B: 10199-67-4
1-benzylpyrazole

C: 244-76-8
α-carboline

D: 3-chloro-9H-pyrido[2, 3-b]indole

Conditions

Conditions	Yield
With chloroform at 550 - 555℃; Further byproducts given. Title compound not separated from byproducts;

...Expand

1--benztriazole: 1--benztriazole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
With zinc(II) chloride
With phosphoric acid

: 109-09-1
2-chloropyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 77 percent / 2 h / 150 - 160 °C 2: 36 percent / PPA / 2 h / 150 - 160 °C View Scheme
Multi-step reaction with 2 steps 1: 87 percent / 0.17 h / 180 °C / microwave irradiation 2: 34 percent / H4P2O7 / 0.01 h / 170 °C / microwave irradiation View Scheme

: 95-14-7
1,2,3-Benzotriazole

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 77 percent / 2 h / 150 - 160 °C 2: 36 percent / PPA / 2 h / 150 - 160 °C View Scheme
Multi-step reaction with 2 steps 1: 5 percent / 0.17 h / 180 °C / microwave irradiation 2: 34 percent / H4P2O7 / 0.01 h / 170 °C / microwave irradiation View Scheme
Multi-step reaction with 2 steps 1: 30 percent / 0.17 h / 180 °C / microwave irradiation 2: 34 percent / H4P2O7 / 0.01 h / 170 °C / microwave irradiation View Scheme

: 109-04-6
2-bromo-pyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 30 percent / 0.17 h / 180 °C / microwave irradiation 2: 34 percent / H4P2O7 / 0.01 h / 170 °C / microwave irradiation View Scheme
Multi-step reaction with 2 steps 1: toluene / 18 h / Reflux 2: polyphosphoric acid / 3 h / 160 - 175 °C View Scheme
Multi-step reaction with 2 steps 1: toluene / Reflux 2: polyphosphoric acid / 160 - 175 °C View Scheme

: 18438-38-5
2-methylsulfanyl-pyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 5 percent / 0.17 h / 180 °C / microwave irradiation 2: 34 percent / H4P2O7 / 0.01 h / 170 °C / microwave irradiation View Scheme

: 13534-99-1
2-Amino-3-bromopyridine

: 244-76-8
α-carboline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / t-BuONa; 1,1'-bis(diphenylphosphino)ferrocine / Pd2(dba)3 / toluene / 17 h / 100 °C 2: 31 percent / Na2CO3 / Pd(OAc)2 / dimethylformamide / 67 h / Heating View Scheme
Multi-step reaction with 2 steps 1: palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate / tert-butyl alcohol 2: palladium diacetate; C26H35P; 1,8-diazabicyclo[5.4.0]undec-7-ene / N,N-dimethyl acetamide View Scheme
Multi-step reaction with 2 steps 1: palladium diacetate; sodium t-butanolate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 2-methyl-propan-1-ol / 18 h / Reflux 2: 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; CyJohnPhos / N,N-dimethyl acetamide / 1 h / 140 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium diacetate; sodium t-butanolate / toluene / 24 h / Reflux 2: 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; CyJohnPhos / N,N-dimethyl acetamide / 24 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium diacetate; sodium t-butanolate / toluene / 24 h / Reflux 2: 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; CyJohnPhos / N,N-dimethyl acetamide / 24 h / Reflux View Scheme

: 53710-17-1
2,6-diiodo-pyridine

: 244-76-8
α-carboline

: 9-(6-iodopyridin-2-yl)-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine In 1,4-dioxane for 12h; Reflux;	100%

: 244-76-8
α-carboline

: 108-36-1
1,3-dibromobenzene

: 9-(3-bromophenyl)-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; rac-diaminocyclohexane In toluene for 16h; Reflux;	94%
With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide for 24h; Inert atmosphere; Reflux;	68%
With potassium phosphate; copper(l) iodide; trans-1,2-Diaminocyclohexane In 1,4-dioxane for 36h; Reflux; Inert atmosphere;

: 109-04-6
2-bromo-pyridine

: 244-76-8
α-carboline

: 9-(2-pyridyl)-9H-pyrido<2,3-b>indole

Conditions

Conditions	Yield
With copper; potassium carbonate at 205℃; for 2h; Irradiation;	93%
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene for 4.5h; Inert atmosphere; Reflux;
Stage #1: 2-bromo-pyridine; α-carboline With palladium diacetate; sodium t-butanolate In toluene for 0.5h; Stage #2: With tri-tert-butyl phosphine In toluene for 4h; Reflux;

: 244-76-8
α-carboline

: 591-50-4
iodobenzene

: 9-phenyl-9H-pyrido<2,3-b>indole

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; rac-diaminocyclohexane In toluene for 16h; Reflux;	93%
With potassium phosphate; copper(l) iodide; (S,S)-1,2-diaminocyclohexane In 1,4-dioxane for 24h; Reflux;	70%
With copper; potassium carbonate at 200℃; for 5h; Irradiation;	59%
Inert atmosphere;

: 244-76-8
α-carboline

: 26066-88-6
6-bromo-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
With N-Bromosuccinimide In dichloromethane at 20℃; Inert atmosphere;	93%
With bromine In dichloromethane at 20℃; for 1h;	91%
With N-Bromosuccinimide In dichloromethane at 20℃; for 2h;	89.7%

: 244-76-8
α-carboline

: 102391-48-0
3,3’-oxybis(iodobenzene)

: 9,9’-(oxybis(3,1-phenylene))bis(9H-pyrido[2,3-b]indole)

Conditions

Conditions	Yield
With copper(I) oxide; 4,7-dimethoxy-1,10-phenanthroline; caesium carbonate In dimethyl sulfoxide at 130 - 160℃; Inert atmosphere;	92%

: 5781-53-3
monomethyl oxalyl chloride

: 244-76-8
α-carboline

: C14H10N2O3

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane at 20℃;	90%

: 244-76-8
α-carboline

: 2,7-dibromo-10-phenyl-10H-spiro[acridine-9,9'-fluorene]

: 10-phenyl-2,7-bis(9H-pyrido[2,3-b]indol-9-yl)-10H-spiro[acridine-9,9'-fluorene]

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene at 110℃; for 10h; Buchwald-Hartwig Coupling; Inert atmosphere;	88.5%
With tris-(dibenzylideneacetone)dipalladium(0); tri tert-butylphosphoniumtetrafluoroborate In toluene; tert-butyl alcohol for 12h; Inert atmosphere; Reflux;	88.5%

: 23229-25-6
2,6-dibromopyrazine

: 244-76-8
α-carboline

: C26H16N6

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; copper(l) iodide; potassium carbonate In toluene at 120℃; for 16h; Sealed tube; Inert atmosphere;	87%

: 244-76-8
α-carboline

: 1760-48-1
but-3-enoic anhydride

: C16H13NO

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 40℃; for 6h;	86%

: 244-76-8
α-carboline

: 26066-89-7
6-iodo-9H-pyrido [2,3-b]indole

Conditions

Conditions	Yield
Stage #1: α-carboline With acetic acid; potassium iodide for 1h; Reflux; Inert atmosphere; Stage #2: With potassium iodate for 2h; Reflux; Inert atmosphere;	85%

: 244-76-8
α-carboline

: 83817-43-0
2-(2-bromophenyl)-5-phenyl-[1,3,4]oxadiazole

: C25H16N4O

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; L-proline In dimethyl sulfoxide at 90℃; for 48h; Inert atmosphere;	84.2%

: 244-76-8
α-carboline

: 223251-25-0
1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride

: 9-(4-(2-(azepan-1-yl)ethoxy)benzyl)-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
Stage #1: α-carboline With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: 1-{2-[4-(chloromethyl)phenoxy]ethyl}hexahydro-1H-azepine hydrochloride In N,N-dimethyl-formamide at 20℃;	84%

: 244-76-8
α-carboline

: 1-(2-(4-(chloromethyl)phenoxy)ethyl)pyrrolidine hydrochloride

: 9-(4-(2-(pyrrolidin-1-yl)ethoxy)benzyl)-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
Stage #1: α-carboline With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: 1-(2-(4-(chloromethyl)phenoxy)ethyl)pyrrolidine hydrochloride In N,N-dimethyl-formamide at 20℃;	83%

: 244-76-8
α-carboline

: 66256-28-8
4-fluoro-1-iodo-2-methylbenzene

: C18H13FN2

Conditions

Conditions	Yield
With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 7h; Temperature;	82.5%

: 244-76-8
α-carboline

: 6453-22-1
6-nitro-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
With nitric acid In water at 0 - 30℃;	82%
With sulfuric acid; nitric acid In water at -5 - 0℃; for 0.333333h; Inert atmosphere;	78.2%
With sulfuric acid; nitric acid In water at -5 - 0℃; for 0.333333h; Inert atmosphere;	78.2%
With nitric acid
Multi-step reaction with 2 steps 1.1: ceric ammonium nitrate / acetonitrile / 12 h / Heating 1.2: 63 percent / DMAP / acetonitrile / 12 h / 20 °C 2.1: 79 percent / TFA / CH2Cl2 / 2 h / Heating View Scheme

: 244-76-8
α-carboline

: 2-bromo-4-phenylquinazoline

: C25H16N4

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; rac-diaminocyclohexane In N,N-dimethyl-formamide for 16h; Inert atmosphere; Reflux;	82%

: 244-76-8
α-carboline

: 4-(2-morpholin-1-yl-ethoxy)benzyl chloride hydrochloride

: 4-(2-(4-((9H-pyridyl[2,3-b]indol-9-yl)methyl)phenoxy)ethyl)morpholine

Conditions

Conditions	Yield
Stage #1: α-carboline With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: 4-(2-morpholin-1-yl-ethoxy)benzyl chloride hydrochloride In N,N-dimethyl-formamide at 20℃;	82%

: 244-76-8
α-carboline

: 1513-65-1
2,6-difluoro pyridine

: 9-(6-(9H-indeno[2,1-b]pyridin-9-yl)pyridin-2-yl)-9H-pyrido[2,3-b]indole

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 150℃; for 12h; Inert atmosphere;	81%

: 854450-65-0
1-bromo-3,5-dichloro-2,4,6-triazine

: 244-76-8
α-carboline

: C14H7Cl2N5

Conditions

Conditions	Yield
Stage #1: α-carboline With sodium hydride In tetrahydrofuran; hexane at 20℃; for 1h; Inert atmosphere; Stage #2: 2-bromo-4,6-dichloro-1,3,5-triazine In tetrahydrofuran; hexane at 20℃; Inert atmosphere;	81%

: 244-76-8
α-carboline

: 40307-15-1
2,8-dibromo-5H-5λ6-dibenzo[b,d]thiophene-5,5-dione

: 2,8-bis(9H-pyrido[2,3-b]indol-9-yl)dibenzo[b,d]thiophene 5,5-dioxide

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine In toluene for 12h; Inert atmosphere; Reflux;	80%

: 244-76-8
α-carboline

: 298709-29-2
3,5-difluoropyridine-2-carbonitrile

: C28H16N6

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 140℃; for 12h; Inert atmosphere;	80%

: 244-76-8
α-carboline

: 26066-88-6
6-bromo-9H-pyrido[2,3-b]indole

: C22H14N4

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene for 6h; Inert atmosphere; Reflux;	78.9%

9H-Pyrido[2,3-b]indole Specification

9H-Pyrido[2,3-b]indole is an organic compound with the formula C₁₁H₈N₂, and its systematic name is the same with the product name. With the CAS registry number 244-76-8, it is also named as alpha-Carboline. It belongs to the product categories of Aromatics; Heterocycles; Indole Derivatives; Mutagenesis Research Chemicals. Its EINECS number is 205-960-6. In addition, the molecular weight is 168.19. This chemical is a carcinogenic compound formed during cooking processes.

Physical properties of 9H-Pyrido[2,3-b]indole are: (1)ACD/LogP: 3.037; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 93.50; (6)ACD/BCF (pH 7.4): 119.32; (7)ACD/KOC (pH 5.5): 835.16; (8)ACD/KOC (pH 7.4): 1065.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 54.462 cm³; (15)Molar Volume: 129.211 cm³; (16)Polarizability: 21.591×10^-24cm³; (17)Surface Tension: 66.29 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 59.58 kJ/mol; (21)Boiling Point: 372.942 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cccc3c1c(cccc1)nc23
(2)Std. InChI: InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)
(3)Std. InChIKey: BPMFPOGUJAAYHL-UHFFFAOYSA-N

Product Name

alpha-carboline

Synthetic route

9H-Pyrido[2,3-b]indole Specification

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