CAS No.80957-68-2,2-P-TOLYL-4,5,6,7-TETRAHYDRO-OXAZOLO[5,4-C]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80957-68-2
Name:	2-P-TOLYL-4,5,6,7-TETRAHYDRO-OXAZOLO[5,4-C]PYRIDINE
Article Data:	10

Formula:	C₈H₁₀N₂
Molecular Weight:	134.181
Synonyms:	5,6,7,8-Tetrahydro-1,6-naphthyridine;
Density:	1.069 g/cm³
Boiling Point:	47.62 °C at 760 mmHg
Flash Point:	103.557 °C
PSA:	24.92000
LogP:	1.05610

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

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

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

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

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

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

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

: methyl 2-(cyanomethyl)nicotinate

: 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine

Conditions

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

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

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

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

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

: 6-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridine

: 80957-68-2
5,6,7,8-tetrahydro-1,6-naphthyridine

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In acetic acid at 60℃; for 2h;

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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