Isoquinoline supplier | CasNO.119-65-3

Name
Isoquinoline
EINECS 204-341-8
CAS No. 119-65-3
Article Data308
CAS DataBase
Density 1.099 g/cm³
Solubility practically insoluble in water
Melting Point 26-28 °C(lit.)
Formula C₉H₇N
Boiling Point 234.1 °C at 760 mmHg
Molecular Weight 129.161
Flash Point 101.1 °C
Transport Information UN 2811 6.1/PG 3
Appearance light brown low meltling solid
Safety 36/37-45-36/37/39
Risk Codes 22-24-38
Molecular Structure
Hazard Symbols T
Synonyms 2-Azanaphthalene;2-Benzazine;Benzo[c]pyridine;NSC 3395;b-Quinoline;
PSA 12.89000
LogP 2.23480

Synthetic route

: 2859-58-7
1,2-dihydroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With chlorosulfonic acid at 100℃; for 0.166667h;	100%
With C22H22Cl2FeN2O8(2-)*2C16H36N(1+); oxygen In neat (no solvent) at 100℃; under 760.051 Torr; for 1h; Green chemistry;	99%

: 54243-41-3
isoquinoline-N-oxide hydrate

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature;	98%

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With manganese(IV) oxide at 105℃; for 0.0416667 - 0.0666667h; Inert atmosphere; Microwave irradiation;	97%
With ethene; 5%-palladium/activated carbon In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; under 760.051 Torr; for 1h; Molecular sieve; Autoclave;	92%
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II) In 1,3,5-trimethyl-benzene at 165℃; for 24h; Inert atmosphere;	91%

: 1532-72-5
isoquinoline N-oxide

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With palladium on activated charcoal; tetrabutylammomium bromide; water; sodium hydroxide; silicon at 100℃; for 6h; Reagent/catalyst;	97%
With ammonium formate; palladium on activated charcoal In methanol at 40℃; for 0.25h;	96%
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Irradiation; chemoselective reaction;	96%

: 486-73-7
1-isoquinolinecarboxylic acid

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 120℃; for 16h;	97%
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h;	92%
With methanol at 40℃; for 48h; Schlenk technique; Irradiation; Inert atmosphere;	72%
In 1-methyl-pyrrolidin-2-one at 170℃; for 16h; Inert atmosphere;	98 %Chromat.

: 3947-77-1
2-methylisoquinolinium iodide

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With pyridine hydrochloride for 10h; Heating;	96%
With sulfolane; triphenylphosphine at 151℃; Rate constant;

: 19493-44-8
1-chloroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 25℃; for 3h; Inert atmosphere;	95%
With phosphorus; hydrogen iodide at 170 - 180℃;
With ZnSe/CdS core/shell QDs; N-ethyl-N,N-diisopropylamine In hexane at 25℃; for 24h; Irradiation; Inert atmosphere;	33 %Chromat.

: 3230-65-7
3,4-dihydroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With potassium tert-butylate In decane at 150℃; for 36h; Inert atmosphere; Schlenk technique;	93%
With potassium tert-butylate In o-xylene at 140℃; for 36h; Inert atmosphere;	90%
With palladium at 190℃;
With [iPrPN(H)P]2Fe(H)(CO)(BH4) In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 30h; Inert atmosphere; Schlenk technique; Glovebox;

: 17954-26-6
1,2-dihydro-2-phenoxycarbonylisoquinoline-1-carbonitrile

: 65-85-0
benzoic acid

A: 119-65-3
isoquinoline

B: 93-99-2
benzoic acid phenyl ester

Conditions

Conditions	Yield
at 135℃; for 2.5h;	A 77% B 92%

...Expand

: 36556-06-6
5,6,7,8-tetrahydroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With ethene; 5%-palladium/activated carbon In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; under 760.051 Torr; for 8h; Molecular sieve; Autoclave;	92%

: 138528-82-2
N-benzoylisoquinolinium triflate

A: 119-65-3
isoquinoline

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In water for 24h;	A 91% B 87%

: 1532-97-4
4-bromoisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 25℃; for 1h; Inert atmosphere;	91%
With potassium tert-butylate; benzyl alcohol In N,N-dimethyl-formamide at 30℃; for 3h; Reagent/catalyst; Schlenk technique; Inert atmosphere;	84%
With triethylamine In methanol; water at 4℃; for 24h; Irradiation; sensitizer: methylene blue;	67%
With hydrogen; triethylamine In methanol; water at 120℃; under 22502.3 Torr; for 24h; Autoclave;	59%
With isopropyl alcohol In N,N-dimethyl-formamide at 20℃; for 36h; UV-irradiation; chemoselective reaction;	54%

: 1532-91-8
4-chloroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With potassium tert-butylate; N,N-dimethyl-formamide at 35℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	91%

: 95-87-4
2,5-Dimethylphenol

: 34784-04-8
5-bromoisoquinoline

A: 119-65-3
isoquinoline

B: 1210329-82-0
5-(2,5-dimethylphenoxy)isoquinoline

Conditions

Conditions	Yield
With 2-Picolinic acid; potassium phosphate; copper(l) iodide In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;	A 10% B 89%

...Expand

: 5430-45-5
5-chloro-isoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With potassium tert-butylate; N,N-dimethyl-formamide at 35℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	89%

: 67-56-1
methanol

: tetramethyl 2,2'-phthaloylbis(1,2-dihydro-1-isoquinolylphosphonate)

A: 119-65-3
isoquinoline

B: 81750-93-8
13-methoxy-8H-dibenzoquinolizin-8-one

C: 81750-90-5
dimethyl 2--1,2-dihydro-1-isoquinolylphosphonate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran Mechanism; Product distribution; 1) - 70 deg C, 0.5 h, 2) room temperature, overnight;	A 87% B 18% C 62%
With o-phthalic dicarboxaldehyde; lithium diisopropyl amide 1) THF, -50 - -60 deg C, 40 min, 2) -65 deg C, 0.5 h, then 40 deg C, 0.5 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

A: 119-65-3
isoquinoline

B: 1196-38-9
3,4-dihydroisoquinolin-1(2H)-one

Conditions

Conditions	Yield
With sodium hydroxide In water; tert-butyl alcohol for 24h; Reflux;	A 7% B 85%
With sodium hypochlorite; racemic (salen)Mn(III) In dichloromethane at 0℃; for 4h;	A n/a B 27%
With C47H15F20N5Zn; oxygen for 1.5h; Irradiation; Green chemistry;	A 13 %Spectr. B 36 %Spectr.

: 67-56-1
methanol

: tetraethyl 2,2'-phthaloylbis(1,2-dihydro-1-isoquinolylphosphonate)

A: 119-65-3
isoquinoline

B: 131-11-3
phthalic acid dimethyl ester

C: 81750-93-8
13-methoxy-8H-dibenzoquinolizin-8-one

D: diethyl 2--1,2-dihydro-1-isoquinolylphosphonate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran Mechanism; Product distribution; 1) - 70 deg C, 0.5 h, 2) room temperature, overnight;	A 84% B n/a C 12% D 56%

...Expand

: 64-17-5
ethanol

: tetramethyl 2,2'-phthaloylbis(1,2-dihydro-1-isoquinolylphosphonate)

A: 119-65-3
isoquinoline

B: 81750-94-9
13-ethoxy-8H-dibenzoquinolizin-8-one

C: 81750-91-6
dimethyl 2--1,2-dihydro-1-isoquinolylphosphonate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran Mechanism; Product distribution; 1) - 70 deg C, 0.5 h, 2) room temperature, overnight;	A 84% B 43% C n/a

...Expand

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

A: 119-65-3
isoquinoline

B: 3230-65-7
3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With manganese(IV) oxide In dichloromethane for 24h; Ambient temperature;	A 8% B 83%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(l) chloride In neat (no solvent) at 60℃; for 60h;	A 12% B 81%
With iodosylbenzene In dichloromethane for 0.5h; Ambient temperature; molecular sieves (4 A);	A 15% B 78%

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

A: 119-65-3
isoquinoline

B: 3230-65-7
3,4-dihydroisoquinoline

C: 1196-38-9
3,4-dihydroisoquinolin-1(2H)-one

Conditions

Conditions	Yield
With sodium periodate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; acetic acid In water; acetonitrile for 20h;	A 8% B 83% C 8%
With 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one In benzene for 120h; Ambient temperature;	A 8% B 36% C 11%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccasefrom Trametes versicolor; oxygen In water at 30℃; for 168h; pH=4.5; Enzymatic reaction;
With C47H15F20N5Zn; oxygen for 1h; Irradiation; Green chemistry;	A 12 %Spectr. B 11 %Spectr. C 40 %Spectr.

...Expand

: 19493-45-9
3-chloroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 60℃; for 8h; Inert atmosphere;	82%

: cis-(1RS,2SR)-2-azido-2,3-dihydro-1H-inden-1-ol

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With bis[dicarbonylcyclopentadienylruthenium(I)] In tetrahydrofuran-d8 at 20℃; for 2h; Irradiation; Inert atmosphere;	80%

: 844-25-7, 55839-33-3
2-benzoyl-1-cyano-1,2-dihydroisoquinoline

A: 119-65-3
isoquinoline

B: 1452-77-3
pyridine-2-carboxylic acid amide

C: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 1h;	A 78% B 17% C 29%

...Expand

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 124-38-9
carbon dioxide

A: 119-65-3
isoquinoline

B: 3230-65-7
3,4-dihydroisoquinoline

C: 64-18-6
formic acid

Conditions

Conditions	Yield
With bis(2,2'-bipyridyl-4,4'-dicarboxylic acid)ruthenium(II) dichloride In acetonitrile at 20℃; for 24h; Schlenk technique; Irradiation; Sealed tube; Green chemistry;	A 8.8% B 76.2% C 61.8 μmol

...Expand

: 2-phenylsulfonylbenzimidoylisoquinolinium perchlorate

A: 119-65-3
isoquinoline

B: 3559-04-4
N-benzoyl-benzenesulfonamide

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 2.5h; Heating;	A n/a B 75%
With potassium hydroxide In ethanol for 2.5h; Heating;	A n/a B 75%

: 34784-07-1
8-chloroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With potassium tert-butylate; N,N-dimethyl-formamide at 35℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	75%

: 64-17-5
ethanol

: tetraethyl 2,2'-phthaloylbis(1,2-dihydro-1-isoquinolylphosphonate)

A: 119-65-3
isoquinoline

B: 81750-94-9
13-ethoxy-8H-dibenzoquinolizin-8-one

C: 93498-56-7
diethyl 2--1,2-dihydro-1-isoquinolylphosphonate

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran Mechanism; Product distribution; 1) - 70 deg C, 0.5 h, 2) room temperature, overnight;	A 74% B 26% C 55%

...Expand

: 102249-87-6
1-cyano-2-dimethylcarbamoyl-1,2-dihydroisoquinoline

: 119-65-3
isoquinoline

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid at 100℃; for 3h; other reagent (40percent KOH);	74%

: 119-65-3
isoquinoline

: 100-39-0
benzyl bromide

: 23277-04-5
2-benzylisoquinolin-2-ium bromide

Conditions

Conditions	Yield
In methanol for 336000h; Heating;	100%
In acetone; benzene at 20℃; for 24h;	100%
In methanol for 336h; Heating;	100%

: 119-65-3
isoquinoline

: 1532-72-5
isoquinoline N-oxide

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; Inert atmosphere;	100%
With 3,3-dimethyldioxirane In acetone at 23℃; Kinetics;	98%
With 2,2,2-Trifluoroacetophenone; dihydrogen peroxide; acetonitrile In tert-butyl alcohol at 20℃; for 18h; Green chemistry; chemoselective reaction;	97%

: 119-65-3
isoquinoline

: 607-32-9
5-nitroisoquinoline

Conditions

Conditions	Yield
With sulfuric acid; potassium nitrate at -15 - 20℃; for 3.3h;	100%
Stage #1: isoquinoline With sulfuric acid; potassium nitrate at -15 - 20℃; Stage #2: With ammonium hydroxide In water at 0℃; pH=8;	94%
With sulfuric acid; potassium nitrate at -15 - 20℃; for 2h;	94%

: 119-65-3
isoquinoline

: 536-38-9
4-chlorobenzoylmethyl bromide

: 57269-96-2
2-(2-(4-chlorophenyl)-2-oxoethyl)isoquinolin-2-ium bromide

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.333333h;	100%
In dichloromethane at 20℃; for 24h;
With cetyltrimethylammonim bromide In water at 20℃; for 0.5h;

: 119-65-3
isoquinoline

: 4397-53-9
p-benzyloxybenzaldehyde

: 1326294-51-2
4-(p-benzyloxybenzyl)isoquinoline

Conditions

Conditions	Yield
Stage #1: isoquinoline With sodium triethylborohydride In tetrahydrofuran for 0.5h; Inert atmosphere; Stage #2: p-benzyloxybenzaldehyde In tetrahydrofuran for 4h; Inert atmosphere; Stage #3: With dihydrogen peroxide; sodium hydroxide In tetrahydrofuran at 0℃; Inert atmosphere;	100%

: 119-65-3
isoquinoline

: 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

: 33538-11-3
1‐cyclohexylisoquinoline

Conditions

Conditions	Yield
With tris(2,2'-bipyridyl)ruthenium dichloride; toluene-4-sulfonic acid In N,N-dimethyl-formamide at 20℃; for 48h; Reagent/catalyst; Solvent; Minisci Aromatic Substitution; Inert atmosphere; Irradiation;	100%
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; trifluoroacetic acid In N,N-dimethyl acetamide at 20℃; for 5h; Reagent/catalyst; Irradiation; Inert atmosphere; Electrochemical reaction;	90%
With tetrakis(actonitrile)copper(I) hexafluorophosphate; 2.9-dimethyl-1,10-phenanthroline; zinc trifluoromethanesulfonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In N,N-dimethyl acetamide for 24h; Inert atmosphere; Irradiation;	88%

: 119-65-3
isoquinoline

: 7677-24-9
trimethylsilyl cyanide

: 543-27-1
isobutyl chloroformate

: 113604-99-2
1-cyano-2-isobutoxycarbonyl-1,2-dihydroisoquinoline

Conditions

Conditions	Yield
In dichloromethane overnight;	99%

...Expand

: 119-65-3
isoquinoline

: 541-41-3
chloroformic acid ethyl ester

: 19980-43-9
1-(trimethylsilyloxy)cyclopentene

: ethyl 1-(2-oxocyclopentyl)-1,2-dihydro-2-isoquinolinecarboxylate

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h;	99%

...Expand

: 119-65-3
isoquinoline

: 17508-17-7
O-(2,4-dinitrophenyl)hydroxylamine

: N-aminoisoquinolinium 2,4-dinitrophenolate

Conditions

Conditions	Yield
In acetonitrile at 40℃;	99%

: 119-65-3
isoquinoline

: 103-71-9
phenyl isocyanate

: 762-42-5
dimethyl acetylenedicarboxylate

: 13787-91-2
dimethyl 2-oxo-1-phenyl-1,11b-dihydro-2H-pyrimido[2,1-a]isoquinoline-3,4-dicarboxylate

Conditions

Conditions	Yield
In dichloromethane at -5 - 20℃; for 1.16667h;	99%

...Expand

: 119-65-3
isoquinoline

: 28479-22-3
2-chloro-4-isocyanato-1-methylbenzene

: 762-42-5
dimethyl acetylenedicarboxylate

: dimethyl 2-oxo-1-(3-chloro-4-methylphenyl)-1,11b-dihydro-2H-pyrimido[2,1-a]isoquinoline-3,4-dicarboxylate

Conditions

Conditions	Yield
In dichloromethane at -5 - 20℃; for 1.16667h;	99%

...Expand

: 119-65-3
isoquinoline

: 313484-60-5
8,9-dimethoxy-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydrogencarbonate; acetic acid	99%

: 119-65-3
isoquinoline

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 931-53-3
Cyclohexyl isocyanide

: 1013099-16-5
C25H24N2O3

Conditions

Conditions	Yield
In water at 70℃; for 12h;	99%

...Expand

: 119-65-3
isoquinoline

: silver hexafluoroantimonate

: (4S,5S)-1,3-di(2-methylphenyl)-4,5-diphenylimidazolin-2-ylidene(1,5-cyclooctadiene)chlororhodium*1/2(CH3)2O

: [(4S,5S)-1,3-di(2-methylphenyl)-4,5-diphenylimidazolin-2-ylidene(1,5-cyclooctadiene)(isoquinoline)rhodium] hexafluoroantimonate

Conditions

Conditions	Yield
In dichloromethane (N2, Schlenk) CH2Cl2 was added followed by AgSbF6 to Rh-complex under a stream of N2, the amine was added to the mixt. by syringe, stirred for 1h; filtered, the solvent was removed under vac., the residue was washed with pentane and dried under vac.; elem. anal.;	99%

...Expand

: 119-65-3
isoquinoline

: silver hexafluoroantimonate

: (4S,5S)-1,3-di(2-isopropylphenyl)-4,5-diphenylimidazolin-2-ylidene(1,5-cyclooctadiene)chlororhodium*1/2(CH3)2O

: [(4S,5S)-1,3-di(2-isopropylphenyl)-4,5-diphenylimidazolin-2-ylidene(1,5-cyclooctadiene)(isoquinoline)rhodium] hexafluoroantimonate

Conditions

Conditions	Yield
In dichloromethane (N2, Schlenk) CH2Cl2 was added followed by AgSbF6 to Rh-complex under a stream of N2, the amine was added to the mixt. by syringe, stirred for 1h; filtered, the solvent was removed under vac., the residue was washed with pentane and dried under vac.; elem. anal.;	99%

...Expand

: 119-65-3
isoquinoline

: 63446-76-4, 63446-77-5, 68225-97-8
1-methyl-1,3-bis(trimethylsilyloxy)buta-1,3-diene

: 501-53-1
benzyl chloroformate

: C22H21NO4

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 14h; regioselective reaction;	99%

...Expand

: 119-65-3
isoquinoline

: 501-53-1
benzyl chloroformate

: 1-(2-methoxyethoxy)-1,3-bis[(trimethylsilyl)oxy]buta-1,3-diene

: 1071820-82-0
1-[3-(2-methoxyethoxycarbonyl)-2-oxopropyl]-1H-isoquinoline-2-carboxylic acid benzyl ester

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 14h; regioselective reaction;	99%

...Expand

: 119-65-3
isoquinoline

: 5511-73-9
N-phthalimide l-valinyl chloride

: 121896-38-6
2-tert-butyldimethylsilyloxyfuran

: C26H22N2O5

Conditions

Conditions	Yield
In dichloromethane at -78 - 20℃; for 18h; Mannich asymmetric reaction; Inert atmosphere; optical yield given as %de; diastereoselective reaction;	99%

...Expand

: 119-65-3
isoquinoline

: 922-67-8
propynoic acid methyl ester

: 1189790-31-5
methyl (E)-3-(1-(3-methoxy-3-oxoprop-1-yn-1-yl)isoquinolin-2(1H)-yl)acrylate

Conditions

Conditions	Yield
In neat (no solvent) at 60℃; for 0.166667h;	99%
With copper dichloride In dichloromethane at 20℃; for 1h; Inert atmosphere;	90%

: 119-65-3
isoquinoline

: 4712-55-4
diphenyl hydrogen phosphite

: 28479-22-3
2-chloro-4-isocyanato-1-methylbenzene

: 1229062-04-7
diphenyl {2-{[(3-chloro-4-methylphenyl)amino]carbonyl}-1,2-dihydroisoquinolin-1-yl}phosphonate

Conditions

Conditions	Yield
at 20℃; for 0.0666667h;	99%

...Expand

: 119-65-3
isoquinoline

: 69267-75-0
2-bromo-1-cyclopropylethan-1-one

: 1224575-18-1
2-(2-cyclopropyl-2-oxoethyl)isoquinolin-2-ium bromide

Conditions

Conditions	Yield
In ethyl acetate at 20℃; for 48.5h;	99%

: 119-65-3
isoquinoline

: 35815-10-2
bis(allyl)calcium

: calcium 1-allyl-1H-isoquinolin-2-ide

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere; regioselective reaction;	99%

: 119-65-3
isoquinoline

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroisoquinoline

Conditions

Conditions	Yield
With C28H29NiOP In benzene-d6 at 30℃; for 2h; regioselective reaction;	99%
With [((2,6-iPr2-C6H3)NC(Me)CHP(Cy2)N(2,6-Me2-C6H3))MgH]2; methyltriphenylsilane In benzene-d6 at 25℃; Catalytic behavior; regioselective reaction;	91%
With C22H27N3 In benzene-d6 at 20℃; for 12h; Schlenk technique;	80%

: 119-65-3
isoquinoline

: 61550-02-5
(furan-2-yloxy)-trimethylsilane

: 75-36-5
acetyl chloride

: (5RS,1'RS)-5-(2'-N-acetyl-1',2'-dihydroisoquinolin-1'-yl)-2(5H)-furanone

Conditions

Conditions	Yield
In acetonitrile at -15 - 20℃; for 1h; Mannich Aminomethylation; Inert atmosphere; diastereoselective reaction;	99%

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: 119-65-3
isoquinoline

: 142-96-1
dibutyl ether

: 1-(1-butoxybutyl)isoquinoline

Conditions

Conditions	Yield
With Selectfluor; trifluoroacetic acid In acetonitrile at 25℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	99%
With sodium persulfate; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; trifluoroacetic acid In water at 23℃; for 4h; Minisci Aromatic Substitution; Inert atmosphere; Irradiation; regioselective reaction;	88%
With dipotassium peroxodisulfate; trifluoroacetic acid In water; acetonitrile for 2h; Solvent; Minisci Aromatic Substitution; Reflux;	68%

: 119-65-3
isoquinoline

: 1046828-40-3
1-(tert-butyldimethylsilyl)-5-methyl-1H-indole

: 34619-03-9
tert-butyldicarbonate

: C29H38N2O2Si

Conditions

Conditions	Yield
With (S)-3,3'-bis(9-anthracenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate In para-xylene at 20℃; for 48h; enantioselective reaction;	99%

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: 119-65-3
isoquinoline

: 34619-03-9
tert-butyldicarbonate

: 162710-95-4
1-(tert-Butyldimethylsilyl)-5-methoxyindole

: C29H38N2O3Si

Conditions

Conditions	Yield
With (S)-3,3'-bis(9-anthracenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate In para-xylene at 20℃; for 48h; enantioselective reaction;	99%

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: 119-65-3
isoquinoline

: 34619-03-9
tert-butyldicarbonate

: 1093066-71-7
1-(tert-butyldimethylsilanyl)-5-fluoro-1H-indole

: C28H35FN2O2Si

Conditions

Conditions	Yield
With (S)-3,3'-bis(9-anthracenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate In para-xylene at 20℃; for 96h; enantioselective reaction;	99%

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: 119-65-3
isoquinoline

: 34619-03-9
tert-butyldicarbonate

: 1-(tert-butyldimethylsilyl)-6-methyl-1H-indole

: C29H38N2O2Si

Conditions

Conditions	Yield
With (S)-3,3'-bis(9-anthracenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate In para-xylene at 20℃; for 96h; enantioselective reaction;	99%

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Isoquinoline Chemical Properties

Product Name: Isoquinoline (CAS NO.119-65-3)
IUPAC Name: isoquinoline

CAS Number:119-65-3
Molecular Formula:C₉H₇N
Molecular Weight:129.17
EINECS: 204-341-8
Density: 1.099
Melting Point: 24-28°C
Boiling Point: 242°C
Flash Point: 107°C
Appearance:Slightly Yellow Solidified Mass Or Fragments
Refractive index: n20/D 1.623(lit.)
Storage temp.: 2-8°C
Merck: 14,5222
BRN: 107549
Product Categories: PYRIDINE; Quinoline&Isoquinoline; Building Blocks; Heterocyclic Building Blocks; Isoquinolines

Isoquinoline Uses

Isoquinoline (CAS NO.119-65-3) can be used in pesticide, medicine, rubber accelerator, color film sensitizing agents, dyes and other products.

Isoquinoline Production

Isoquinoline (CAS NO.119-65-3) can be produced from the boiling range of 238 ~ 250 °C of the coal-tar derived by repeated freezing separation.

Isoquinoline Toxicity Data With Reference

1.	skn-rbt 10 mg/24H open SEV	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.	eye-rbt 250 µg open SEV	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
3.	orl-rat LD50:360 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.	skn-rbt LD50:590 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

Isoquinoline Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Isoquinoline Safety Profile

A poison by ingestion. Moderately toxic by skin contact. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of NO_x.
Safety Information of Isoquinoline (CAS NO.119-65-3).
Hazard Codes: T Toxic
Risk Statements: 22-24-38
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R38:Irritating to skin.
Safety Statements: 36/37-45-36/37/39
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:UN 2811 6.1/PG 3
WGK Germany:2
RTECS:NW6825000
HazardClass:6.1
PackingGroup:II

Isoquinoline Specification

Isoquinoline , its CAS NO. is 119-65-3, the synonyms are 2-Azanaphthalene ; 2-Benzazine ; 3,4-Benzopyridine ; Benzo(c)pyridine ; Leucoline ; beta-Quinoline .

Product Name

Isoquinoline

Synthetic route

Isoquinoline Chemical Properties

Isoquinoline Uses

Isoquinoline Production

Isoquinoline Toxicity Data With Reference

Isoquinoline Consensus Reports

Isoquinoline Safety Profile

Isoquinoline Specification

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