Quinaldine supplier | CasNO.91-63-4

Name
Quinaldine
EINECS 202-085-1
CAS No. 91-63-4
Article Data405
CAS DataBase
Density 1.076 g/cm³
Solubility slightly soluble in water
Melting Point -2 °C
Formula C₁₀H₉N
Boiling Point 246.5 °C at 760 mmHg
Molecular Weight 143.188
Flash Point 79.4 °C
Transport Information
Appearance yellowish-brown liquid
Safety 36-45-36/37/39-26
Risk Codes 21/22-68-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Quinaldine(8CI);2-Methylquinoline;Khinaldin;NSC 3397;
PSA 12.89000
LogP 2.54320

Synthetic route

: 7661-39-4
2-n-butylquinoline

A: 91-63-4
2-methylquinoline

B: 187737-37-7
propene

Conditions

Conditions	Yield
In benzene Ambient temperature; Irradiation;	A 100% B 100%

: 1011-50-3
2-quinolin-2-yl-ethanol

A: 91-63-4
2-methylquinoline

B: 50-00-0
formaldehyd

Conditions

Conditions	Yield
In benzene Ambient temperature; Irradiation;	A 100% B 100%

: 1026-05-7
2-methyl-1,2,3,4-tetrahydroquinolin-4-yl-(phenyl)amine

A: 91-63-4
2-methylquinoline

B: 62-53-3
aniline

Conditions

Conditions	Yield
With palladium dichloride In acetonitrile	A 100% B 100%

: 1125-81-1
2-methyl-1,2-dihydroquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
Stage #1: 2-methyl-1,2-dihydroquinoline With sodium hydroxide In ethanol at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Irradiation; Stage #2: With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III) In ethanol at 20℃; for 1h;	99%
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; Co(dmgH)2(4-MeCO2Py)Cl In water at 28℃; for 4h; Mechanism; Schlenk technique; Inert atmosphere; Irradiation;	91%
With arsenic(V) oxide
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; iodine; (S)-(-)-(6,6’-dimethoxybiphenyl-2,2’-diyl)bis(diphenylphosphine) In toluene at 20℃;
With rose bengal; oxygen; potassium carbonate In N,N-dimethyl acetamide at 20℃; for 12h; Irradiation;

: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III) In ethanol at 30℃; for 6h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; Irradiation;	99%
With 6C44H32N6O4Ru(2+)12Hf(2+)8O(2-)14HO(1-)6C16H22ClCoN5O6(1-) In 2,2,2-trifluoroethanol; acetonitrile at 20℃; for 24h; Catalytic behavior; Inert atmosphere; Irradiation;	99%
With isolated cobalt single atom sites stabilized on an ordered porous nitrogen doped carbon matrix In 1,3,5-trimethyl-benzene at 120℃; for 8h; Schlenk technique;	96%

: 265990-67-8
(E)-4-(2-aminophenyl)but-3-en-2-one

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Irradiation;	99%
In ethanol at 30℃; Concentration; Solvent; UV-irradiation; Flow reactor;	91%
In benzene for 0.366667h; Irradiation;	74%

: 92-46-6
6-chloro-2-methylquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With methylene chloride; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide electrolysis, -2.0 V;	90%

: 102102-32-9
1,1,2,2-Tetraphenyl-ethane-1,2-diol; compound with 2-methyl-quinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
at 120℃; under 5 Torr;	90%

: 123-73-9
trans-Crotonaldehyde

: 62-53-3
aniline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With phospho-tungstic acid; phosphotungstic acid; silica gel for 0.166667h; Doebner-Miller reaction; microwave irradiation;	90%
With hydrogenchloride; chloranil In butan-1-ol for 0.333333h; Heating;

: 67-64-1
acetone

: 552-89-6
2-nitro-benzaldehyde

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With 4 A molecular sieve; tin(ll) chloride; zinc(II) chloride In ethanol at 70℃;	90%
Stage #1: acetone; 2-nitro-benzaldehyde With zinc(II) chloride In methanol at 67℃; for 1h; Inert atmosphere; Molecular sieve; Stage #2: With tin(ll) chloride In methanol for 12h; Inert atmosphere; Molecular sieve;	90%
With Li*4.5 THF In methanol at 20 - 25℃; for 63h;	77%

: 106237-27-8
β-anilinocrotonaldehyde

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With sulfuric acid for 48h; Ambient temperature;	89%
With sulfuric acid at 25℃; Rate constant;

: 66417-92-3, 104260-82-4, 6944-54-3
4-phenyl-2-butanone oxime

A: 91-63-4
2-methylquinoline

B: 877-95-2
methyl-N-(benzyl-methyl)-formamide

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; tetrabutylammonium perrhenate In nitromethane Heating;	A 7% B 88%

: 1026-05-7
2-methyl-1,2,3,4-tetrahydroquinolin-4-yl-(phenyl)amine

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With N-hydroxy-3,4,5,6-tetrachlorophthalimide; 5,6-bis(5-methoxythiophen-2-yl)pyrazine-2,3-dicarbonitrile In acetonitrile at 25℃; for 5h; Irradiation; Green chemistry;	88%
With 5,6-bis(5-methoxythiophen-2-yl)pyrazine-2,3-dicarbonitrile; C9H3Cl4NO2 In N,N-dimethyl acetamide; acetonitrile at 25℃; for 3h; Solvent; Irradiation;	81%

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 62-53-3
aniline

A: 91-63-4
2-methylquinoline

B: 101-99-5
N-carboethoxyaniline

C: 102-07-8
bis(diphenyl)urea

Conditions

Conditions	Yield
With oxygen; rhodium contaminated with carbon at 160 - 170℃; under 63253.7 Torr; for 3h; Mechanism; Product distribution; further catalyst systems; other amines;	A n/a B 86% C 1.5%

...Expand

: 612-62-4
2-Chloroquinoline

: 75-16-1
methylmagnesium bromide

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With copper(I) bromide In tetrahydrofuran; diethyl ether 1.) -78 degC, 3h, 2.) RT, overnight;	85%
With copper(I) bromide In tetrahydrofuran at -78 - 20℃; Product distribution; other heteroaryl halides and cuprous salts as catalysts;	85%
Stage #1: methylmagnesium bromide With iron(III) trifluoride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride In tetrahydrofuran at 0℃; Inert atmosphere; Stage #2: 2-Chloroquinoline In tetrahydrofuran at 20 - 60℃; for 26h; Inert atmosphere;	40%
Stage #1: methylmagnesium bromide With iron(III) trifluoride; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In tetrahydrofuran at 0℃; Inert atmosphere; Stage #2: 2-Chloroquinoline In tetrahydrofuran at 60℃; for 26h; Inert atmosphere; chemoselective reaction;	40%

: 1613-37-2
Quinoline N-oxide

: 78782-17-9
4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With sodium methylate In toluene at 80℃; for 3h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; regioselective reaction;	85%

: 457622-20-7
4-(2-aminophenyl)-2-butanol

A: 91-63-4
2-methylquinoline

B: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium carbonate In toluene at 111℃; for 20h;	A 9% B 83%

: 4295-06-1
4-chloro-2-methylquinoline

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; tert-butylmagnesium chloride In tetrahydrofuran at 20℃; for 1.5h; Inert atmosphere;	82%
With hydrogen iodide; acetic acid at 250 - 270℃;

: 89937-05-3
1-(2'-Acetamino-phenyl)-ethanol

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With PPA at 210℃; for 20h;	82%

: 72592-66-6
N-[2-((E)-3-Oxo-but-1-enyl)-phenyl]-acetamide

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With silver hexafluoroantimonate; [RhCl2(p-cymene)]2; copper(II) acetate monohydrate; acetic acid In tetrahydrofuran at 120℃; for 12h; Inert atmosphere; Sealed tube;	81%
With hydrogenchloride for 0.05h; Heating;	93 mg

: 64-17-5
ethanol

: 98-95-3
nitrobenzene

: 91-63-4
2-methylquinoline

Conditions

Conditions	Yield
With silver tetrafluoroborate; oxygen; palladium diacetate; Trimethylacetic acid at 180℃; for 24h; Temperature; Reagent/catalyst;	81%
With gold on titanium oxide for 5h; Irradiation;	75%
With titania-supported iridium nanoclusters at 120℃; under 3800.26 Torr; for 28h; Autoclave; Inert atmosphere;	74%
With MoS1.73O0.1 at 190℃; for 4h; Reagent/catalyst;	72%
Stage #1: ethanol; nitrobenzene With MoS1.73O0.1; hydrogen In toluene at 160℃; for 8h; Stage #2: In toluene at 150℃; for 6h; Temperature; Solvent; Reagent/catalyst;	70%

: 91-63-4
2-methylquinoline

: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

Conditions

Conditions	Yield
With [1-butyl-2,3-dimethylimidazolium][tppm] stabilized rhodium nanoarticles at 50℃; under 22502.3 Torr; for 5h; Ionic liquid; Autoclave; chemoselective reaction;	100%
With hydrogen at 50℃; under 22502.3 Torr; for 10h; Autoclave; Sealed tube; Ionic liquid; chemoselective reaction;	100%
With [2,2]bipyridinyl; formic acid; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium formate In water at 80℃; for 1h; pH=3.5;	99%

: 91-63-4
2-methylquinoline

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 15821-13-3
2-methylquinoline-4-carboxamide

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide; titanium(IV) oxide for 5h; sunlight irradiation;	100%
With sulfuric acid; dihydrogen peroxide; iron(II) sulfate at 60℃; for 4h;	100 % Turnov.
With N-hydroxyphthalimide; ammonium cerium(IV) nitrate; trifluoroacetic acid at 70℃; for 6h;

: 91-63-4
2-methylquinoline

: 623-27-8
terephthalaldehyde,

: 24346-76-7
A-ST

Conditions

Conditions	Yield
With acetic anhydride for 6h; Reflux;	100%
With acetic anhydride for 6h; Reflux;	100%

: 91-63-4
2-methylquinoline

: 555-16-8
4-nitrobenzaldehdye

A: 619-73-8
4-nitrobenzyl chloride

B: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

Conditions

Conditions	Yield
With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen In toluene at 80℃; for 18h;	A 100% B 78%

...Expand

: 91-63-4
2-methylquinoline

: 3457-45-2
p-formylacetophenone

A: 75633-63-5
4-(hydroxymethyl)acetophenone

B: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

Conditions

Conditions	Yield
With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen In toluene at 80℃; for 18h;	A 100% B 100%

...Expand

: chromium(VI) oxide

: 91-63-4
2-methylquinoline

: 7664-39-3
hydrogen fluoride

: 166265-09-4
quinaldinium fluorochromate(VI)

Conditions

Conditions	Yield
Stage #1: chromium(VI) oxide; hydrogen fluoride In water Stage #2: 2-methylquinoline In water for 1h;	99.4%

...Expand

: 91-63-4
2-methylquinoline

: 64-18-6
formic acid

: 27850-49-3
2-methyl-3,4-dihydroquinoline-1(2H)-carbaldehyde

Conditions

Conditions	Yield
With nitrogen modified cobalt nanoparticles supported on carbon In toluene at 130℃;	99%
With isolated cobalt single atom sites stabilized on an ordered porous nitrogen doped carbon matrix In toluene at 120℃; for 1.5h; Schlenk technique;	96%
With sodium formate In water at 80℃; for 24h; pH=4.5; Schlenk technique; Inert atmosphere;	90%

: 91-63-4
2-methylquinoline

: 3132-99-8
m-bromobenzoic aldehyde

: (E)-2-(3-bromostyryl)quinoline

Conditions

Conditions	Yield
With iron(II) acetate; trifluoroacetic acid In toluene at 100℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;	99%
In water at 120℃; for 36h; Sealed tube;	94%
In 1,4-dioxane at 140℃; for 48h; Autoclave; Green chemistry;	89%
With zinc(II) chloride

: 91-63-4
2-methylquinoline

: 99-61-6
3-nitro-benzaldehyde

: 38101-92-7
3-[2-(quinolin-2-yl)ethenyl]nitrobenzene

Conditions

Conditions	Yield
With lanthanum pentafluorobenzoate In toluene at 120℃; for 24h;	99%
With iron(II) acetate; trifluoroacetic acid In toluene at 100℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;	90%
With acetic anhydride In water	88%

: 91-63-4
2-methylquinoline

: 555-16-8
4-nitrobenzaldehdye

: 38101-93-8
2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline

Conditions

Conditions	Yield
With lanthanum pentafluorobenzoate In toluene at 120℃; for 24h;	99%
With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate In neat (no solvent) at 130℃; Green chemistry;	98%
With iron(II) acetate; trifluoroacetic acid In toluene at 100℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;	92%

: 91-63-4
2-methylquinoline

: 1780-19-4, 63430-95-5, 74497-74-8
(R)-1,2,3,4-tetrahydroquinaldine

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-(+)-2,2',6,6'-tetramethoxy-4,4'-bis(diphenylphosphino)-3,3'-bipyridine; hydrogen; iodine In tetrahydrofuran at 20℃; under 36201.3 Torr; for 24h; Autoclave; optical yield given as %ee; enantioselective reaction;	99%
With (R)-(-)-5,5’-bis(diphenyl;phosphine)-2,2,2’,2’-tetrafluoro-4,4’-bi-1,3-benzodioxole; bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; iodine In tetrahydrofuran at 20℃; under 36201.3 Torr; for 24h; Autoclave; optical yield given as %ee; enantioselective reaction;	99%
With C34H39F3N2O5RuS2; hydrogen In methanol at 25℃; under 38002.6 Torr; for 14h; Autoclave; optical yield given as %ee; enantioselective reaction;	99%

: 91-63-4
2-methylquinoline

: 199620-14-9, 13007-92-6
chromium(0) hexacarbonyl

: 222291-39-6
pentacarbonyl(η(1)-quinaldine)chromium(0)

Conditions

Conditions	Yield
In tetrahydrofuran; dibutyl ether Ar-atmosphere; heating equimolar amts. to 130°C for 9 h (in Bu2O/THF=10:1); cooling to room temp., filtration (Celite), evapn.;	99%
In tetrahydrofuran Irradiation (UV/VIS); Ar-atmosphere; irradiation of Cr-complex soln. (Hg lamp, λ=253 nm, room temp., 80 h), stirring with excess of ligand (room temp., 24 h); evapn. (vac.);	60%

: 91-63-4
2-methylquinoline

: 185226-19-1, 70424-04-3
trans-chloromethylbis(dimethylsulfoxide)platinum(II)

: 185043-01-0
trans(C,N)-chloromethyl(dimethyl sulfoxide)(2-methylquinoline)platinum(II)

Conditions

Conditions	Yield
In dichloromethane stirring stoich. amts. for 30 min; addn. of pentane, pptn. on cooling, collection (filtration), washing (cold pentane), drying (vac.); elem. anal.;	99%

: 623-03-0
4-Cyanochlorobenzene

: 91-63-4
2-methylquinoline

: 2-(quinolyul-2-yl)-1-(4-chlorophenyl)-1-ethenamine

Conditions

Conditions	Yield
Stage #1: 2-methylquinoline With lithium diisopropyl amide In tetrahydrofuran; hexane at -70℃; for 1h; Stage #2: 4-Cyanochlorobenzene In tetrahydrofuran; hexane at -70 - 20℃; for 2h; Further stages.;	99%

: 91-63-4
2-methylquinoline

: 200125-70-8
(S)-2-methyl-1,2,3,4-tetrahydroquinoline

Conditions

Conditions	Yield
With C32H34F6IrN2O5S2; hydrogen; trifluoroacetic acid In methanol at 15℃; under 38002.6 Torr; for 24h; optical yield given as %ee; enantioselective reaction;	99%
With Ru(trifluoromethanesulfonate)(N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine)(η6-cymene); hydrogen at 25℃; under 38002.6 Torr; Autoclave; Neat (no solvent); optical yield given as %ee; enantioselective reaction;	99%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (S)-6,6'-bis(diphenylphosphino)-1,1'-biphenyl-2,2'-diylbis(trifluoromethylsulfonate); hydrogen; iodine In tetrahydrofuran at 20℃; under 36201.3 Torr; for 22h; Inert atmosphere; Autoclave; optical yield given as %ee; enantioselective reaction;	99%

: 623-03-0
4-Cyanochlorobenzene

: 91-63-4
2-methylquinoline

: 1045335-58-7
2-(quinolin-2-yl)-1-(4-chlorophenyl)-1-ethenamine

Conditions

Conditions	Yield
Stage #1: 2-methylquinoline With n-butyllithium; diisopropylamine In tetrahydrofuran at -70℃; for 1h; Inert atmosphere; Stage #2: 4-Cyanochlorobenzene In tetrahydrofuran at -70 - 20℃; Inert atmosphere; Stage #3: With water In tetrahydrofuran	99%

: 91-63-4
2-methylquinoline

: 434-45-7
1,1,1-trifluoroacetophenone

: 1419293-70-1
1,1,1-trifluoro-2-phenyl-3-(quinolin-2-yl)propan-2-ol

Conditions

Conditions	Yield
With indium(III) chloride In tert-butyl alcohol at 60℃; for 24h; Reagent/catalyst; Solvent;	99%
With iron(II) perchlorate monohydrate In dimethyl sulfoxide at 60℃; for 24h; Catalytic behavior; Solvent; Temperature; Sealed tube;	93%
With ytterbium(III) triflate In 1,4-dioxane at 110℃; for 12h;	90%

: 91-63-4
2-methylquinoline

: 4750-61-2
N-(p-chlorobenzyl)aniline

: 38101-91-6
(E)-2-(4-chlorostyryl)quinoline

Conditions

Conditions	Yield
Stage #1: N-(p-chlorobenzyl)aniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 538-51-2
benzylidene phenylamine

: 38101-69-8
2-[(E)-styryl]quinoline

Conditions

Conditions	Yield
With 2,3-dichloro-5,6-dicyanohydroquinone In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 81308-21-6
N-(3-methoxybenzyl)aniline

: 1289213-22-4
(E)-2-(3-methoxystyryl)quinoline

Conditions

Conditions	Yield
Stage #1: N-(3-methoxybenzyl)aniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 10359-19-0
N-(m-chlorobenzyl)aniline

: 1318193-02-0
(E)-2-(3-chlorostyryl)quinoline

Conditions

Conditions	Yield
Stage #1: N-(m-chlorobenzyl)aniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 77664-18-7
N-(2-methoxybenzyl)aniline

: 2'-methoxy-2-trans-styrylquinoline

Conditions

Conditions	Yield
Stage #1: N-(2-methoxybenzyl)aniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 40625-28-3
N-(thiophen-2-ylmethyl)aniline

: 73010-95-4
(E)-2-(2-(thiophen-2-yl)ethenyl)quinoline

Conditions

Conditions	Yield
Stage #1: N-(thiophen-2-ylmethyl)aniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Inert atmosphere; diastereoselective reaction;	99%

: 91-63-4
2-methylquinoline

: 758640-21-0
N-Benzylaniline

: 38101-69-8
2-[(E)-styryl]quinoline

Conditions

Conditions	Yield
Stage #1: N-Benzylaniline With 2,3-dicyano-5,6-dichloro-p-benzoquinone In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-methylquinoline In N,N-dimethyl-formamide at 70℃; for 24h; Reagent/catalyst; Solvent; Temperature; Time; Inert atmosphere; diastereoselective reaction;	99%

Quinaldine Consensus Reports

Reported in EPA TSCA Inventory.

Quinaldine Specification

The Quinaldine, with the CAS registry number 91-63-4 and EINECS registry number 202-085-1, has the systematic name of 2-methylquinoline. It is a kind of yellowish-brown liquid, and belongs to the following product categories: Intermediates of Dyes and Pigments; Quinoline & Isoquinoline; Quinoline; Quinoline Derivertives; Alkylquinolines; Quinolines; Flavor. And the molecular formula of this chemical is C₁₀H₉N.

The physical properties of Quinaldine are as following: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 14.2; (6)ACD/BCF (pH 7.4): 48.93; (7)ACD/KOC (pH 5.5): 162.06; (8)ACD/KOC (pH 7.4): 558.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 47.01 cm³; (15)Molar Volume: 133 cm³; (16)Polarizability: 18.63×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 46.4 kJ/mol; (21)Boiling Point: 246.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0425 mmHg at 25°C.

Preparations and uses of Quinaldine: It can be obtained from aniline and paraldehyde via Skraup synthesis or extracted from coal tar. It can also be prepared from aniline and crotonaldehyde via Doebner-von Miller variation of the Skraup reaction. What's more, it is used in anti-malaria drugs, in manufacturing dyes, food colorants, pharmaceuticals and pH indicators.

You should be cautious while dealing with this chemical. It is harmful in contact with skin and if swallowed, and it also irritates eyes, respiratory system and skin. What's more, it has possible risk of irreversible effects. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2ccccc2n1
(2)InChI: InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
(3)InChIKey: SMUQFGGVLNAIOZ-UHFFFAOYAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	1870uL/kg (1.87mL/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat	LD50	oral	1230mg/kg (1230mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Product Name

Quinaldine

Synthetic route

Quinaldine Consensus Reports

Quinaldine Specification

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