Product Name

  • Name

    Isoquinolin-6-ol

  • EINECS 231-612-8
  • CAS No. 7651-82-3
  • Article Data13
  • CAS DataBase
  • Density 1.26 g/cm3
  • Solubility
  • Melting Point 220ºC
  • Formula C9H7 N O
  • Boiling Point 332.1 °C at 760 mmHg
  • Molecular Weight 145.161
  • Flash Point 154.6 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 7651-82-3 (Isoquinolin-6-ol)
  • Hazard Symbols Xi
  • Synonyms 6-Hydroxyisoquinoline
  • PSA 33.12000
  • LogP 1.94040

Synthetic route

methanol
67-56-1

methanol

C18H15NO

C18H15NO

A

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

B

(R)-1-phenyl-1-methoxyprop-2-ene
22665-13-0

(R)-1-phenyl-1-methoxyprop-2-ene

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-5H-dibenz[b,f]azepine; 3,5-dichlorobenzoic acid at 25℃; for 10h; Inert atmosphere;A 93%
B 99%
...Expand
6-methoxyisoquinoline
52986-70-6

6-methoxyisoquinoline

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

Conditions
ConditionsYield
With aqueous HBr In water82%
With pyridine hydrochloride at 160℃;27%
Stage #1: 6-methoxyisoquinoline With pyridine hydrochloride at 160℃;
Stage #2: With water; ammonium hydroxide at 20℃; pH=10 - 11;		27%
6-bromo-isoquinoline
34784-05-9

6-bromo-isoquinoline

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); potassium hydroxide; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1.5h;75%
2C9H6NO(1-)*Cu(2+)*5H2O

2C9H6NO(1-)*Cu(2+)*5H2O

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

Conditions
ConditionsYield
With sodiumsulfide nonahydrate In ethanol at 40℃; for 20h;
methanol
67-56-1

methanol

C18H14FNO

C18H14FNO

A

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

B

C10H11FO

C10H11FO

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-5H-dibenz[b,f]azepine; 3,5-dichlorobenzoic acid at 25℃; Inert atmosphere;
...Expand
methanol
67-56-1

methanol

C18H14FNO

C18H14FNO

A

isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

B

C10H11FO

C10H11FO

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-5H-dibenz[b,f]azepine; 3,5-dichlorobenzoic acid at 25℃; Inert atmosphere;
...Expand
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

5-iodoisoquinolin-6-ol
918488-43-4

5-iodoisoquinolin-6-ol

Conditions
ConditionsYield
Stage #1: isoquinolin-6-ol With trifluorormethanesulfonic acid; [bis(pyridine)iodine]+ tetrafluoroborate In dichloromethane at 0 - 20℃; for 3h;
Stage #2: With sodium hydrogencarbonate In water		97%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

cyclobutanol
2919-23-5

cyclobutanol

6-cyclobutoxyisoquinoline

6-cyclobutoxyisoquinoline

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 21h; Mitsunobu Displacement; Inert atmosphere;97%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

2-bromo-2-methylpropanamide
7462-74-0

2-bromo-2-methylpropanamide

2-(isoquinoline-6-yloxy)-2-methylpropanamide

2-(isoquinoline-6-yloxy)-2-methylpropanamide

Conditions
ConditionsYield
With sodium hydride In 1,4-dioxane; mineral oil at 100℃; for 8h;95%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

5-bromoisoquinoline-6-ol
918488-42-3

5-bromoisoquinoline-6-ol

Conditions
ConditionsYield
With flavin reductase enzyme from E. Coli; radicicol halogenase from Chaetomium chiversii D456E/T501S mutant; β-nicotinamide adenine dinucleotide reduced; riboflavin adenine dinucleotide; potassium bromide In aq. phosphate buffer; ethanol at 30℃; for 2h; pH=7.4; Enzymatic reaction; regioselective reaction;92%
Stage #1: isoquinolin-6-ol With bromine In chloroform at 20℃; for 2h;
Stage #2: With sodium hydrogencarbonate In water		88%
Stage #1: isoquinolin-6-ol With bromine In chloroform at 20℃; for 2h;
Stage #2: With water; sodium hydrogencarbonate pH=8;		88%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

5-chloro-6-hydroxyisoquinoline
918488-41-2

5-chloro-6-hydroxyisoquinoline

Conditions
ConditionsYield
Stage #1: isoquinolin-6-ol With sulfuryl dichloride In diethyl ether; dichloromethane at 20℃; for 5h;
Stage #2: With sodium hydrogencarbonate In water		89%
Stage #1: isoquinolin-6-ol With sulfuryl dichloride In dichloromethane at 20℃; for 5h;
Stage #2: With water; sodium hydrogencarbonate		89%
With Escherichia coli BL21-CodonPlus (DE3)-RIL/pJZ54 Enzymatic reaction;11.4 mg
With flavin reductase enzyme from E. Coli; radicicol halogenase from Chaetomium chiversii D456E/T501S mutant; β-nicotinamide adenine dinucleotide reduced; riboflavin adenine dinucleotide; magnesium chloride In aq. phosphate buffer; ethanol at 30℃; for 2h; pH=7.4; Kinetics; Catalytic behavior; Reagent/catalyst; Enzymatic reaction; regioselective reaction;
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(benzylseleninyl)benzene
13154-11-5

(benzylseleninyl)benzene

5-(phenylselanyl)isoquinolin-6-ol

5-(phenylselanyl)isoquinolin-6-ol

Conditions
ConditionsYield
With trifluoroacetic anhydride In dichloromethane at 20℃; for 1h; Inert atmosphere; Glovebox; Sealed tube;84%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(S)-(-)-tert-butyl 1-phenylprop-2-en-1-yl carbonate
444575-89-7

(S)-(-)-tert-butyl 1-phenylprop-2-en-1-yl carbonate

C18H15NO

C18H15NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 0.1h; Inert atmosphere; enantioselective reaction;82%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

isopropyl alcohol
67-63-0

isopropyl alcohol

6-isopropoxyisoquinoline

6-isopropoxyisoquinoline

Conditions
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 16h; Mitsunobu Displacement; Inert atmosphere;80%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(+/-)-1-(4'-fluorophenyl)prop-2-en-1-yl tert-butyl carbonate
1073277-35-6

(+/-)-1-(4'-fluorophenyl)prop-2-en-1-yl tert-butyl carbonate

C18H14FNO

C18H14FNO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride In methanol at 25℃; for 0.166667h; Inert atmosphere; enantioselective reaction;80%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

carbonic acid 1,1-dimethylethyl 1-phenyl-2-propenyl ester
444575-79-5

carbonic acid 1,1-dimethylethyl 1-phenyl-2-propenyl ester

C18H15NO

C18H15NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride In methanol at 25℃; for 0.1h; Inert atmosphere; enantioselective reaction;80%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(4-chlorophenyl)allyl) carbonate
1314581-30-0

tert-butyl (1-(4-chlorophenyl)allyl) carbonate

C18H14ClNO

C18H14ClNO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;78%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

carbonic acid 1,1-dimethylethyl 1-phenyl-2-propenyl ester
444575-79-5

carbonic acid 1,1-dimethylethyl 1-phenyl-2-propenyl ester

C18H15NO

C18H15NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;78%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(+/-)-1-(4'-fluorophenyl)prop-2-en-1-yl tert-butyl carbonate
1073277-35-6

(+/-)-1-(4'-fluorophenyl)prop-2-en-1-yl tert-butyl carbonate

C18H14FNO

C18H14FNO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;77%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

C19H27NO5

C19H27NO5

C23H24N2O3

C23H24N2O3

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; dibenzenesulfonamide In methanol at 25℃; for 11h; Inert atmosphere; enantioselective reaction;77%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

2-bromo-2-methylpropionic acid methyl ester
23426-63-3

2-bromo-2-methylpropionic acid methyl ester

methyl 2-(isoquinolin-6-yloxy)-2-methylpropanoate
945860-77-5

methyl 2-(isoquinolin-6-yloxy)-2-methylpropanoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h;74%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

chloroacetonitrile
107-14-2

chloroacetonitrile

2-(cyanomethyl)-6-hydroxyisoquinolinium chloride
1383730-50-4

2-(cyanomethyl)-6-hydroxyisoquinolinium chloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 4h; Reflux;74%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(R)-(+)-tert-butyl 1-phenylprop-2-en-1-yl carbonate
444575-90-0

(R)-(+)-tert-butyl 1-phenylprop-2-en-1-yl carbonate

C18H15NO

C18H15NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;74%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(o-tolyl)allyl) carbonate

tert-butyl (1-(o-tolyl)allyl) carbonate

C19H17NO

C19H17NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride In methanol at 25℃; for 0.133333h; Inert atmosphere; enantioselective reaction;73%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(4-iodophenyl)allyl) carbonate

tert-butyl (1-(4-iodophenyl)allyl) carbonate

C18H14INO

C18H14INO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;72%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

6-fluoroisoquinoline
1075-11-2

6-fluoroisoquinoline

Conditions
ConditionsYield
With N,N'-1,3-bis(2,6-diisopropylphenyl)-4,5-dihydro-2,2-difluoroimidazolidine; cesium fluoride In 1,4-dioxane at 23 - 110℃; for 24.5h; Inert atmosphere;71%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(+/-)-1-(4'-bromophenyl)prop-2-en-1-yl tert-butyl carbonate
1073277-21-0

(+/-)-1-(4'-bromophenyl)prop-2-en-1-yl tert-butyl carbonate

C18H14BrNO

C18H14BrNO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;71%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

1-([1,1'-biphenyl]-4-yl)allyl tert-butyl carbonate

1-([1,1'-biphenyl]-4-yl)allyl tert-butyl carbonate

C24H19NO

C24H19NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;71%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(naphthalene-2-yl)allyl) carbonate

tert-butyl (1-(naphthalene-2-yl)allyl) carbonate

C22H17NO

C22H17NO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 3,5-dichlorobenzoic acid In methanol at 25℃; for 10h; Inert atmosphere; enantioselective reaction;71%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(3-methoxyphenyl)allyl) carbonate
1073277-24-3

tert-butyl (1-(3-methoxyphenyl)allyl) carbonate

C19H17NO2

C19H17NO2

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; dibenzenesulfonamide In methanol at 25℃; for 9h; Inert atmosphere; enantioselective reaction;68%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

ammonium hydroxide
1336-21-6

ammonium hydroxide

6-isoquinolinamine
23687-26-5

6-isoquinolinamine

Conditions
ConditionsYield
In water67%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

(+/-)-1-(4'-bromophenyl)prop-2-en-1-yl tert-butyl carbonate
1073277-21-0

(+/-)-1-(4'-bromophenyl)prop-2-en-1-yl tert-butyl carbonate

C18H14BrNO

C18H14BrNO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride In methanol at 25℃; for 0.166667h; Inert atmosphere; enantioselective reaction;66%
isoquinolin-6-ol
7651-82-3

isoquinolin-6-ol

tert-butyl (1-(4-iodophenyl)allyl) carbonate

tert-butyl (1-(4-iodophenyl)allyl) carbonate

C18H14INO

C18H14INO

Conditions
ConditionsYield
With (S)-(+)-N-(3,5-dioxa-4-phosphacyclohepta-[2,1-a;3,4-a′]dinaphthalen-4-yl)dibenz[b,f]azepine; bis(1,5-cyclooctadiene)diiridium(I) dichloride In methanol at 25℃; for 0.166667h; Inert atmosphere; enantioselective reaction;65%

Isoquinolin-6-ol Chemical Properties

Molecular structure of Isoquinolin-6-ol (CAS NO.7651-82-3) is:

Product Name: Isoquinolin-6-ol
CAS Registry Number: 7651-82-3
IUPAC Name: 2H-isoquinolin-6-one
Molecular Weight: 145.15798 [g/mol]
Molecular Formula: C9H7NO
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 2 
EINECS: 231-612-8
Molar Volume: 115.203 cm3
Surface Tension: 59.731 dyne/cm
Density: 1.26 g/cm3
Flash Point: 154.633 °C
Enthalpy of Vaporization: 59.761 kJ/mol
Boiling Point: 332.074 °C at 760 mmHg
Product Categories: blocks ;Heterocycles ;Quinolines ;Heterocyclic Series ;Quinoline&Isoquinoline ;Building Blocks ;Isoquinoline

Isoquinolin-6-ol Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant

Isoquinolin-6-ol Specification

 Isoquinolin-6-ol , its cas register number is 7651-82-3. It also can be called EINECS 231-612-8 .It is a white to light yellow crystal powder.

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