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Cas Database |
| Name |
5,6,7,8-Tetrahydro-1,6-naphthyridine |
EINECS | N/A |
| CAS No. | 80957-68-2 | Density | 1.069 g/cm3 |
| PSA | 24.92000 | LogP | 1.05610 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H10N2 | Boiling Point | 47.62 °C at 760 mmHg |
| Molecular Weight | 134.181 | Flash Point | 103.557 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5,6,7,8-Tetrahydro-1,6-naphthyridine; |
Article Data | 10 |
5,6,7,8-Tetrahydro-1,6-naphthyridine Synthetic route
- 625100-00-7
3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethanol under 2844.39 Torr; for 3.5h; | 100% |
| With palladium 10% on activated carbon; hydrogen In ethanol under 2844.39 Torr; for 3.5h; | 0.5 g |
- 75510-02-0
6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridine
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In acetic acid at 50 - 60℃; | 94% |
| With palladium on activated charcoal; hydrogen; acetic acid under 2585.81 Torr; for 48h; | 64% |
| With hydrogen; palladium 10% on activated carbon In acetic acid at 50 - 60℃; under 760.051 Torr; for 2h; | 60% |
| With hydrogen; acetic acid; palladium on activated charcoal at 50 - 60℃; for 2h; |
- 3612-20-2
1-phenylmethyl-4-piperidone
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Et3N; pyridinium acetate / 22 h / 120 °C 2: H2; AcOH / Pd/C / 2 h / 50 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 37 percent / Et3N, piperidinium acetate / 24 h / 120 °C 2: 94 percent / H2 / Pd-C / acetic acid / 50 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrachloroaurate(III) dihydrate / ethanol / 8 h / 90 °C / Sealed tube 2: palladium on activated charcoal; hydrogen; acetic acid / 48 h / 2585.81 Torr View Scheme |
- 65719-09-7
methyl 2-methylnicotinate
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 16 h / 90 °C / Inert atmosphere 2.1: tetrabutyl ammonium fluoride / acetonitrile / 16 h / 0 - 30 °C / Inert atmosphere 3.1: hydrogen / methanol; water / 16 h / 50 °C / 2585.81 Torr 4.1: dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 16 h / 0 - 90 °C 4.2: 0.25 h / 30 °C 4.3: 3 h / 0 - 90 °C View Scheme |
- 116986-08-4
methyl 2-(bromomethyl)pyridine-3-carboxylate
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: tetrabutyl ammonium fluoride / acetonitrile / 16 h / 0 - 30 °C / Inert atmosphere 2.1: hydrogen / methanol; water / 16 h / 50 °C / 2585.81 Torr 3.1: dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 16 h / 0 - 90 °C 3.2: 0.25 h / 30 °C 3.3: 3 h / 0 - 90 °C View Scheme |
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: hydrogen / methanol; water / 16 h / 50 °C / 2585.81 Torr 2.1: dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 16 h / 0 - 90 °C 2.2: 0.25 h / 30 °C 2.3: 3 h / 0 - 90 °C View Scheme |
- 155058-02-9
7,8-Dihydro-1,6-Naphthyridine-5(6H)-one
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Stage #1: 7,8-Dihydro-1,6-Naphthyridine-5(6H)-one With dimethylsulfide borane complex In tetrahydrofuran; dichloromethane at 0 - 90℃; for 16h; Stage #2: In methanol at 30℃; for 0.25h; Stage #3: With hydrogenchloride In 1,4-dioxane at 0 - 90℃; for 3h; |
- 38749-79-0
3-bromo-2-picoline
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: triethylamine; [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / 16 h / 80 °C / 2585.81 Torr 2.1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 16 h / 90 °C / Inert atmosphere 3.1: tetrabutyl ammonium fluoride / acetonitrile / 16 h / 0 - 30 °C / Inert atmosphere 4.1: hydrogen / methanol; water / 16 h / 50 °C / 2585.81 Torr 5.1: dimethylsulfide borane complex / tetrahydrofuran; dichloromethane / 16 h / 0 - 90 °C 5.2: 0.25 h / 30 °C 5.3: 3 h / 0 - 90 °C View Scheme |
- 19125-34-9
1-phenylpiperidin-4-one
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium tetrachloroaurate(III) dihydrate / ethanol / Reflux 2: hydrogen; palladium on activated charcoal / acetic acid / 2 h / 60 °C View Scheme |
- 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In acetic acid at 60℃; for 2h; |
5,6,7,8-Tetrahydro-1,6-naphthyridine Specification
The systematic name of 5,6,7,8-Tetrahydro-1,6-naphthyridine is 5,6,7,8-tetrahydro-1,6-naphthyridine. With the CAS registry number 80957-68-2, it is also named as 1,6-Naphthyridine,5,6,7,8-tetrahydro-. The product's category is chiral chemicals. Besides, its molecular formula is C8H10N2 and its molecular weight is 134.18.
The other characteristics of 5,6,7,8-Tetrahydro-1,6-naphthyridine can be summarized as: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)H bond acceptors: 2; (8)H bond donors: 1; (9)Freely Rotating Bonds: 0; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 39.866 cm3; (13)Molar Volume: 125.52 cm3; (14)Polarizability: 15.804×10-24cm3; (15)Surface Tension: 42.485 dyne/cm; (16)Density: 1.069 g/cm3; (17)Flash Point: 103.557 °C; (18)Enthalpy of Vaporization: 48.478 kJ/mol; (19)Boiling Point: 247.62 °C at 760 mmHg; (20)Vapour Pressure: 0.025 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccnc2CCNCc12
(2)InChI:InChI=1/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,9H,3,5-6H2
(3)InChIKey:FPEAARFNXIWCTP-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,9H,3,5-6H2
(5)Std. InChIKey:FPEAARFNXIWCTP-UHFFFAOYSA-N
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