CAS No.215453-26-2,6-BROMOISOQUINOLIN-1-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	215453-26-2
Name:	6-BROMOISOQUINOLIN-1-YLAMINE
Article Data:	11

Formula:	C₉H₇BrN₂
Molecular Weight:	223.072
Synonyms:	1-Amino-6-bromoisoquinoline;
Density:	1.649 g/cm³
Boiling Point:	380.697 °C at 760 mmHg
Flash Point:	184.039 °C
PSA:	38.91000
LogP:	3.16070

Synthetic route

: 205055-63-6
6-bromo-1-chloroisoquinoline

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
With ammonium hydroxide In 1-methyl-pyrrolidin-2-one; water at 150℃; for 10h; Solvent; Inert atmosphere;	95%
With acetamide; potassium carbonate at 180℃; for 5h;	65%
With acetamide; potassium carbonate In ethyl acetate	65%

: 215453-25-1
6-Bromo-1-phenoxyisoquinoline

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
With ammonium acetate	72%
With ammonium acetate at 160℃;

: 82827-09-6
6-bromo-2H-isoquinoline-1-one

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 62 percent / POCl3 / 4 h / 100 °C 2: 65 percent / acetamide; K2CO3 / 5 h / 180 °C View Scheme
Multi-step reaction with 2 steps 1: trichlorophosphate / 4 h / 100 °C 2: acetamide; potassium carbonate / 5 h / 180 °C View Scheme

: 6-bromo-1-hydroxyisoquinoline

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 62 percent / POCl3 / 4 h / 100 °C 2: 65 percent / acetamide; K2CO3 / 5 h / 180 °C View Scheme

: 34784-05-9
6-bromo-isoquinoline

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 1.) mCPBA, 2.) HCl / 2.) MeOH 2: 73 percent / POCl3 3: 99 percent / KOH 4: 72 percent / ammonium acetate View Scheme

: 6-bromo-2-hydroxy-isoquinolinium; chloride

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 73 percent / POCl3 2: 99 percent / KOH 3: 72 percent / ammonium acetate View Scheme

: 93-97-0
benzoic acid anhydride

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

: 215453-27-3
N-(6-bromo-1-isoquinolinyl)benzamide

Conditions

Conditions	Yield
With pyridine	94%
With pyridine at 125℃; for 1h;

: 145100-50-1
1,1,1-trifluoro-N-(pyridin-2-yl)-N-((trifluoromethyl)-sulfonyl)methanesulfonamide

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

: 6-bromo-1-N'-monotrifluoromethanesulfonamidoisoquinoline

Conditions

Conditions	Yield
In acetonitrile at 60℃; Inert atmosphere;	90%

: 557-21-1
zinc(II) cyanide

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

: 1-amino-isoquinoline-6-carbonitrile

Conditions

Conditions	Yield
Stage #1: (6-bromoisoquinolin-1-yl)amine With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Stage #2: zinc(II) cyanide In N,N-dimethyl-formamide at 120℃; for 1h; Microwave irradiation; Inert atmosphere;	77%

: 24424-99-5
di-tert-butyl dicarbonate

: 215453-26-2
(6-bromoisoquinolin-1-yl)amine

: 911305-48-1
(6-bromoisoquinolin-1-yl)biscarbamic acid di-tert-butyl ester

Conditions

Conditions	Yield
With dmap; triethylamine In acetonitrile at 20℃; for 2h;	71%
With dmap; triethylamine In acetonitrile at 20℃; for 2h;	71%
With dmap; triethylamine In tetrahydrofuran at 25℃; for 15h; Temperature;	3 g

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Specification

The 6-Bromoisoquinolin-1-amine with the CAS number 215453-26-2 is also called 1-Isoquinolinamine,6-bromo-. Its molecular formula is C₉H₇BrN₂. This chemical belongs to the following product categories: (1)chiral chemicals; (2)Building Blocks; (3)Isoquinoline.

The properties of the chemical are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 21; (8)ACD/KOC (pH 7.4): 396; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 54.113 cm³; (15)Molar Volume: 135.238 cm³; (16)Polarizability: 21.452×10^-24cm³; (17)Surface Tension: 63.382 dyne/cm; (18)Enthalpy of Vaporization: 62.888 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(ccnc2N)cc1Br
(2)InChI: InChI=1/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)
(3)InChIKey: PZNNAAGLKCNZKE-UHFFFAOYAA