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Cas Database |
| Name |
6-Bromoisoquinolin-1-amine |
EINECS | N/A |
| CAS No. | 215453-26-2 | Density | 1.649 g/cm3 |
| PSA | 38.91000 | LogP | 3.16070 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H7BrN2 | Boiling Point | 380.697 °C at 760 mmHg |
| Molecular Weight | 223.072 | Flash Point | 184.039 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Amino-6-bromoisoquinoline; |
Article Data | 11 |
6-Bromoisoquinolin-1-amine Synthetic route
- 205055-63-6
6-bromo-1-chloroisoquinoline
- 215453-26-2
(6-bromoisoquinolin-1-yl)amine
| 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 | 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 | 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 |
- 215453-26-2
(6-bromoisoquinolin-1-yl)amine
| 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 | 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 |
- 215453-26-2
(6-bromoisoquinolin-1-yl)amine
| 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 | 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
| Conditions | Yield |
|---|---|
| In acetonitrile at 60℃; Inert atmosphere; | 90% |
- 557-21-1
zinc(II) cyanide
- 215453-26-2
(6-bromoisoquinolin-1-yl)amine
| 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 | 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 |
6-Bromoisoquinolin-1-amine 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
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