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Cas Database |
| Name |
Isoquinolin-6-ol |
EINECS | 231-612-8 |
| CAS No. | 7651-82-3 | Density | 1.26 g/cm3 |
| PSA | 33.12000 | LogP | 1.94040 |
| Solubility | N/A | 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 | N/A | Appearance | white to light yellow crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
6-Hydroxyisoquinoline |
Article Data | 13 |
Isoquinolin-6-ol Synthetic route
| Conditions | Yield |
|---|---|
| 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% |
- 52986-70-6
6-methoxyisoquinoline
- 7651-82-3
isoquinolin-6-ol
| Conditions | Yield |
|---|---|
| With aqueous HBr In water | 82% |
| 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% |
- 34784-05-9
6-bromo-isoquinoline
- 7651-82-3
isoquinolin-6-ol
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); potassium hydroxide; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1.5h; | 75% |
- 7651-82-3
isoquinolin-6-ol
| Conditions | Yield |
|---|---|
| With sodiumsulfide nonahydrate In ethanol at 40℃; for 20h; |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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; |
- 7651-82-3
isoquinolin-6-ol
- 918488-43-4
5-iodoisoquinolin-6-ol
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 21h; Mitsunobu Displacement; Inert atmosphere; | 97% |
| Conditions | Yield |
|---|---|
| With sodium hydride In 1,4-dioxane; mineral oil at 100℃; for 8h; | 95% |
- 7651-82-3
isoquinolin-6-ol
- 918488-42-3
5-bromoisoquinoline-6-ol
| Conditions | Yield |
|---|---|
| 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 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: 
Xi
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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