1,7-Dichloroisoquinoline supplier

Name
1,7-Dichloroisoquinoline
EINECS
CAS No. 70810-24-1
Density 1.407 g/cm³
Solubility
Melting Point 138 °C
Formula C₉H₅Cl₂N
Boiling Point 316 °C at 760 mmHg
Molecular Weight 198.051
Flash Point 174.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoquinoline, 1,7-dichloro-;
PSA 12.89000
LogP 3.54160

Synthetic route

7-chloro-isoquinoline-2-oxide-hydrochloride: 7-chloro-isoquinoline-2-oxide-hydrochloride

: 70810-24-1
1,7-dichloroisoquinoline

Conditions

Conditions	Yield
With trichlorophosphate

: 59647-24-4
isoquinoline-1,7-diol

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

: 70810-24-1
1,7-dichloroisoquinoline

Conditions

Conditions	Yield
at 165℃;

: 70810-26-3
7-chloroisoquinoline 2-oxide

: 70810-24-1
1,7-dichloroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: p-toluenesulfonyl chloride / N,N-dimethyl-formamide / 80 °C 2: thionyl chloride; N,N-dimethyl-formamide / toluene / 3 h / 80 °C View Scheme

: 24188-74-7
7-chloroisoquinolin-1-ol

: 70810-24-1
1,7-dichloroisoquinoline

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In toluene at 80℃; for 3h;
With thionyl chloride; N,N-dimethyl-formamide In toluene at 80℃; for 3h;

: 70810-24-1
1,7-dichloroisoquinoline

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: tert-butyl 4-(7-chloroisoquinolin-1-yl)piperazine-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 110℃; for 5h; Inert atmosphere;	93%
With potassium carbonate In dimethyl sulfoxide at 120℃; for 5.5h;	73%

: 70810-24-1
1,7-dichloroisoquinoline

: 121-57-3
4-aminobenzene sulfonic acid

: 4-(7-chloroisoquinolin-1-ylamino)benzenesulfonic acid

Conditions

Conditions	Yield
In ethanol; water at 80℃;	84%

: 70810-24-1
1,7-dichloroisoquinoline

: 67515-76-8
methyl 5-amino-2-pyridinecarboxylate

: methyl 5-((7-chloroisoquinolin-1-yl)amino)picolinate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130 - 140℃;	76%

: 70810-24-1
1,7-dichloroisoquinoline

: 2759-28-6
1-phenylmethylpiperazine

: 1-(4-benzylpiperazin-1-yl)-7-chloroisoquinoline

Conditions

Conditions	Yield
at 150℃; for 3h;	71%
at 150℃; for 3h;	71%

: 70810-24-1
1,7-dichloroisoquinoline

: 303780-52-1
N-(3-aminophenylsulfonyl)benzylamine

: N-benzyl-3-((7-chloroisoquinolin-1-yl)amino)benzenesulfonamide

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130℃;	61%

: 70810-24-1
1,7-dichloroisoquinoline

: 14959-32-1
6-chloro-N-methylpyridazin-3-amine

: 7-chloro-N-(6-chloropyridazin-3-yl)-N-methylisoquinolin-1-amine

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130℃; Inert atmosphere;	53%

: potassium cyanide

: 70810-24-1
1,7-dichloroisoquinoline

: 1368066-86-7
7-chloroisoquinoline-1-carbonitrile

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; 1,5-bis-(diphenylphosphino)pentane; palladium diacetate In toluene at 150℃; Inert atmosphere;	25%

: 70810-24-1
1,7-dichloroisoquinoline

: C9H14N4O2

: tert-butyl (2-((7-chloroisoquinolin-1-yl)amino)pyrimidin-4-yl)carbamate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 140℃; Inert atmosphere;	16%

: 70810-24-1
1,7-dichloroisoquinoline

: 104-78-9
diethylaminopropylamine

: N,N-diethyl-N'-(7-chloro-[1]isoquinolyl)-propanediyldiamine

Conditions

Conditions	Yield
at 150 - 200℃;

: 110-85-0
piperazine

: 70810-24-1
1,7-dichloroisoquinoline

: 7-chloro-1-(piperazin-1-yl)isoquinoline

Conditions

Conditions	Yield
In ethylene glycol at 140℃;

: 70810-24-1
1,7-dichloroisoquinoline

: 1429787-76-7
(2S,2'S)-N,N'-(4,4'-((E)-ethene-1,2-diyl)bis(4,1-phenylene))bis(1-(7-chloroisoquinoline-1-carbonyl)pyrrolidine-2-carboxamide)

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 1,5-bis-(diphenylphosphino)pentane; N,N,N,N,-tetramethylethylenediamine; palladium diacetate / toluene / 150 °C / Inert atmosphere 2.1: sodium hydroxide / 80 °C / Inert atmosphere 2.2: 20 °C / Inert atmosphere 3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere View Scheme

Yield

Multi-step reaction with 3 steps
1.1: 1,5-bis-(diphenylphosphino)pentane; N,N,N,N,-tetramethylethylenediamine; palladium diacetate / toluene / 150 °C / Inert atmosphere
2.1: sodium hydroxide / 80 °C / Inert atmosphere
2.2: 20 °C / Inert atmosphere
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere
View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 552850-71-2
7-chloroisoquinoline-1-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1,5-bis-(diphenylphosphino)pentane; N,N,N,N,-tetramethylethylenediamine; palladium diacetate / toluene / 150 °C / Inert atmosphere 2.1: sodium hydroxide / 80 °C / Inert atmosphere 2.2: 20 °C / Inert atmosphere View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: N3-(7-chloroisoquinolin-1-yl)-3-N-methylpyridazine-3,6-diamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 130 °C / Inert atmosphere 2: tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate / 1,4-dioxane / 100 °C 3: trifluoroacetic acid / 60 °C View Scheme

Yield

Multi-step reaction with 3 steps
1: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 130 °C / Inert atmosphere
2: tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate / 1,4-dioxane / 100 °C
3: trifluoroacetic acid / 60 °C
View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 3-N-(7-chloroisoquinolin-1-yl)-6-N-(4-methoxybenzyl)-3-N-methylpyridazine-3,6-diamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 130 °C / Inert atmosphere 2: tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate / 1,4-dioxane / 100 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: tert-butyl (4-aminopyridin-2-yl)carbamate

: tert-butyl (4-((7-chloroisoquinolin-1-yl)amino)pyridin-2-yl)carbamate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 140℃; Inert atmosphere;

: 70810-24-1
1,7-dichloroisoquinoline

: tert-butyl (4-aminopyridin-2-yl)carbamate

: N4-(7-chloroisoquinolin-1-yl)pyridine-2,4-diamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 140 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 7-chloro-1-(piperazin-1-yl)isoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: tert-butyl N-{3-[4-(7-chloroisoquinolin-1-yl)piperazin-1-yl]propyl}carbamate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 3-[4-(7-chloroisoquinolin-1-yl)piperazin-1-yl]propan-1-amine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 4-({3-[4-(7-chloroisoquinolin-1-yl)piperazin-1-yl]propyl}amino)-2H-chromen-2-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 5: triethylamine / acetonitrile / 1 h / 70 °C View Scheme
Multi-step reaction with 5 steps 1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 5: triethylamine / acetonitrile / 1 h / 70 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 4-({3-[4-(7-chloroisoquinolin-1-yl)piperazin-1-yl]propyl}amino)-2H-chromen-2-one hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 5: triethylamine / acetonitrile / 1 h / 70 °C 6: hydrogenchloride / dichloromethane; diethyl ether View Scheme
Multi-step reaction with 6 steps 1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere 2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C 4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C 5: triethylamine / acetonitrile / 1 h / 70 °C 6: hydrogenchloride / dichloromethane; methanol; diethyl ether View Scheme

Yield

Multi-step reaction with 6 steps
1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 120 °C
2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C
4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
5: triethylamine / acetonitrile / 1 h / 70 °C
6: hydrogenchloride / dichloromethane; diethyl ether
View Scheme

Multi-step reaction with 6 steps
1: potassium carbonate / dimethyl sulfoxide / 5 h / 110 °C / Inert atmosphere
2: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
3: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 20 °C
4: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
5: triethylamine / acetonitrile / 1 h / 70 °C
6: hydrogenchloride / dichloromethane; methanol; diethyl ether
View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 4-((7-chloroisoquinolin-1-yl)amino)benzenesulfonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol; water / 80 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 4-((7-chloroisoquinolin-1-yl)amino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol; water / 80 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 3: triethylamine / dichloromethane / 0 - 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: 4-((7-chloroisoquinolin-1-yl)amino)-N-((1,2,3,4-tetrahydronaphthalen-2-yl)methyl)benzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol; water / 80 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 3: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C View Scheme

: 70810-24-1
1,7-dichloroisoquinoline

: N-benzyl-4-((7-chloroisoquinolin-1-yl)amino)benzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol; water / 80 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C 3: pyridine / 3 h / 20 °C View Scheme

1,7-Dichloroisoquinoline Specification

The 1, 7-Dichloroisoquinoline, with the CAS registry number 70810-24-1, is also known as Isoquinoline, 1,7-dichloro-. This chemical's molecular formula is C₉H₅Cl₂N and molecular weight is 198.051. What's more, its systematic name is 1, 7-Dichloroisoquinoline.

Physical properties about 1, 7-Dichloroisoquinoline are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 226.93; (6)ACD/BCF (pH 7.4): 226.95; (7)ACD/KOC (pH 5.5): 1690.24; (8)ACD/KOC (pH 7.4): 1690.35; (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: 1.66; (14)Molar Refractivity: 51.97 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 20.6×10^-24 cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.407 g/cm³; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 316 °C at 760 mmHg; (22)Vapour Pressure: 0.000782 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1ccnc(Cl)c1c2
(2) InChI: InChI=1/C9H5Cl2N/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
(3) InChIKey: NRBSVPXPMBQUGX-UHFFFAOYAQ

Product Name

1,7-Dichloroisoquinoline

Synthetic route

1,7-Dichloroisoquinoline Specification

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