Product Name

  • Name

    6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE

  • EINECS
  • CAS No. 799274-08-1
  • Density
  • Solubility
  • Melting Point
  • Formula C9H10FN.HCl
  • Boiling Point
  • Molecular Weight 187.644
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 799274-08-1 (6-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms Isoquinoline,6-fluoro-1,2,3,4-tetrahydro-, hydrochloride (9CI);Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-, hydrochloride;
  • PSA 12.03000
  • LogP 2.60220

Synthetic route

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

N-tert-butyloxycarbonylpiperidin-4-one
79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

tert-butyl 4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)piperidine-1-carboxylate
1018826-70-4

tert-butyl 4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)piperidine-1-carboxylate

Conditions
ConditionsYield
Stage #1: 6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride; N-tert-butyloxycarbonylpiperidin-4-one With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Molecular sieve;
Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 18h;		94%
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

5-fluoro-2-nitroaniline
2369-11-1

5-fluoro-2-nitroaniline

5-(7-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2-nitroaniline

5-(7-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2-nitroaniline

Conditions
ConditionsYield
With iodine; triethylamine In dimethyl sulfoxide for 1.5h; Reflux; Inert atmosphere;84%
N-(4-bromo-2,6-dimethylphenyl)-3,3-dimethylbutanamide
1009344-67-5

N-(4-bromo-2,6-dimethylphenyl)-3,3-dimethylbutanamide

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide
1009344-33-5

N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

Conditions
ConditionsYield
With potassium tert-butylate; bis(dibenzylideneacetone)-palladium(0); DavePhos In toluene at 80℃;83%
With potassium tert-butylate; bis(dibenzylideneacetone)-palladium(0); DavePhos In 2-methyltetrahydrofuran at 77℃; for 13h; Inert atmosphere;
2-amino-3,4-difluoronitro-benzene
211693-73-1

2-amino-3,4-difluoronitro-benzene

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

2-fluoro-3-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-6-nitroaniline

2-fluoro-3-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-6-nitroaniline

Conditions
ConditionsYield
With iodine; triethylamine In dimethyl sulfoxide for 3h; Reflux; Inert atmosphere;74%
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

5-fluoro-2-nitroaniline
2369-11-1

5-fluoro-2-nitroaniline

5-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2-nitroaniline

5-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2-nitroaniline

Conditions
ConditionsYield
With iodine; triethylamine In dimethyl sulfoxide for 1.5h; Reflux; Inert atmosphere;72%
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

3-[4-[[4-(bromomethyl)phenyl]methoxy]-1-oxo-isoindolin-2-yl]piperidine-2,6-dione
1323407-86-8

3-[4-[[4-(bromomethyl)phenyl]methoxy]-1-oxo-isoindolin-2-yl]piperidine-2,6-dione

3-{4-[4-(6-Fluoro-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-benzyloxy]-1-oxo-1,3-dihydro-isoindol-2-yl}-piperidine-2,6-dione
1323403-99-1

3-{4-[4-(6-Fluoro-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-benzyloxy]-1-oxo-1,3-dihydro-isoindol-2-yl}-piperidine-2,6-dione

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;69%
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

6-methyl-4-(methylthio)-1-{[5-(trifluoromethyl)thiophen-2-yl]methyl}-1,3,5-triazin-2(1H )-one

6-methyl-4-(methylthio)-1-{[5-(trifluoromethyl)thiophen-2-yl]methyl}-1,3,5-triazin-2(1H )-one

4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-1-{[5-(trifluoromethyl)thiophen-2-yl]methyl}-1,3,5-triazin-2(1H)-one

4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-6-methyl-1-{[5-(trifluoromethyl)thiophen-2-yl]methyl}-1,3,5-triazin-2(1H)-one

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane for 14h; Reflux;26%
With triethylamine In 1,4-dioxane for 14h; Reflux;26%
N-(4-Bromo-2-chloro-6-trifluoromethyl-phenyl)-3-cyclopentyl-propionamide
1009344-69-7

N-(4-Bromo-2-chloro-6-trifluoromethyl-phenyl)-3-cyclopentyl-propionamide

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

N-[2-Chloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-trifluoromethyl-phenyl]-3-cyclopentyl-propionamide
1009344-27-7

N-[2-Chloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-trifluoromethyl-phenyl]-3-cyclopentyl-propionamide

Conditions
ConditionsYield
With potassium tert-butylate; bis(dibenzylideneacetone)-palladium(0); DavePhos In toluene at 90℃;
N-(4-Bromo-2-chloro-6-methylphenyl)-3,3-dimethyl butanamide
1009344-73-3

N-(4-Bromo-2-chloro-6-methylphenyl)-3,3-dimethyl butanamide

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

N-[2-chloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
1009344-39-1

N-[2-chloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide

Conditions
ConditionsYield
With potassium tert-butylate; bis(dibenzylideneacetone)-palladium(0); DavePhos In toluene at 90℃;
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

tert-butyl 6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-butyl 6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water at 20℃; for 18h;
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

tert-butyl 8-fluoro-1,2-dihydro-3H-benzo[d]azepine-3-carboxylate

tert-butyl 8-fluoro-1,2-dihydro-3H-benzo[d]azepine-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / water; tetrahydrofuran / 18 h / 20 °C
2: 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate / dichloromethane; diethyl ether / 1 h / 80 °C / Schlenk technique; Inert atmosphere
View Scheme
2-amino-3,4-difluoronitro-benzene
211693-73-1

2-amino-3,4-difluoronitro-benzene

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

ethyl (2-amino-3-fluoro-4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

ethyl (2-amino-3-fluoro-4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine; iodine / dimethyl sulfoxide / 3 h / Reflux; Inert atmosphere
2.1: zinc; ammonium chloride / methanol; tetrahydrofuran; water / 2 h / 20 °C / Inert atmosphere
2.2: 18 h / 10 - 20 °C / Inert atmosphere
View Scheme
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

5-fluoro-2-nitroaniline
2369-11-1

5-fluoro-2-nitroaniline

ethyl (2-amino-4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

ethyl (2-amino-4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine; iodine / dimethyl sulfoxide / 1.5 h / Reflux; Inert atmosphere
2.1: zinc; ammonium chloride / methanol; water; 1,4-dioxane / 0.5 h / 20 °C / Inert atmosphere
2.2: 18 h / 20 °C / Inert atmosphere; Cooling with ice
View Scheme
6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
799274-08-1

6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

5-fluoro-2-nitroaniline
2369-11-1

5-fluoro-2-nitroaniline

ethyl (2-amino-4-(7-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

ethyl (2-amino-4-(7-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)phenyl)carbamate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine; iodine / dimethyl sulfoxide / 1.5 h / Reflux; Inert atmosphere
2.1: zinc; ammonium chloride / methanol; tetrahydrofuran; water / 4 h / 20 °C / Inert atmosphere
2.2: 12 h / 20 °C / Inert atmosphere; Cooling with ice
View Scheme

6-Fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride Specification

The 6-Fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride, with the CAS registry number 799274-08-1, is also known as Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-, hydrochloride. This chemical's molecular formula is C9H10FN.HCl and molecular weight is 187.64. What's more, its systematic name is 6-Fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride (1:1).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1F)CCNC2.Cl
(2)Std. InChI: InChI=1S/C9H10FN.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h1-2,5,11H,3-4,6H2;1H
(3)Std. InChIKey: YXZXFMKDFFJUCA-UHFFFAOYSA-N

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