| Identification | More | [Name]
3-(2H-TETRAZOL-5-YL)-PYRIDINE | [CAS]
3250-74-6 | [Synonyms]
3-(2H-TETRAAZOL-5-YL)PYRIDINE
3-(2H-TETRAZOL-5-YL)-PYRIDINE
5-(3-PYRIDYL)-1H-TETRAZOLE
5-(3-PYRIDYL)TETRAZOLE
AKOS B020828
ART-CHEM-BB B020828
BUTTPARK 14\02-73
CBI-BB ZERO/005386
IFLAB-BB F2124-0755
SPECS AO-289/25117008
3-(1H-1,2,3,4-tetraazol-5-yl)pyridine | [EINECS(EC#)]
426-810-8 | [Molecular Formula]
C6H5N5 | [MDL Number]
MFCD00665795 | [Molecular Weight]
147.14 | [MOL File]
3250-74-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
240 °C | [Boiling point ]
379.4±44.0 °C(Predicted) | [density ]
1.388±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
solid | [pka]
5.99±0.12(Predicted) | [Appearance]
White to off-white Solid | [Water Solubility ]
Soluble in water (slightly). | [InChI]
InChI=1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11) | [InChIKey]
SECHDFHDDVELCV-UHFFFAOYSA-N | [SMILES]
C1=NC=CC=C1C1=NNN=N1 | [CAS DataBase Reference]
3250-74-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT-HARMFUL | [HS Code ]
2933399990 | [Storage Class]
13 - Non Combustible Solids | [Hazard Classifications]
Eye Dam. 1 |
| Hazard Information | Back Directory | [Uses]
5-(3-Pyridyl)-1H-tetrazole is used as a pharmaceutical intermediate. The Pyridine,3-(2H-tetrazol-5-yl)- acts as reactant with 1-(4-bromo-phenyl)-3-piperidino-propan-1-one, hydrochloride, and obtain the 1-(4-bromo-phenyl)-3-(5-pyridin-3-yl-tetrazol-2-yl)-propan-1-one. This reaction needs the solvent of dimethylformamide. The yield is 31%. In addition, this reaction should be taken for 8 hours at the temperature of 150°C. | [Synthesis]
The general procedure for the synthesis of 5-(3-pyridinyl)-1H-tetrazole from 3-cyanopyridine was as follows: 3-cyanopyridine (2 mmol), sodium azide (2.4 mmol, 1.2 eq.), and tetrabutylammonium bromide (2.4 mmol, 1.2 eq.) were added to a vial with a screw cap. The reaction mixture was stirred at 105 °C and the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was cooled to room temperature and dissolved in deionized water (5 mL). Subsequently, the aqueous solution was acidified with 1 M hydrochloric acid to pH = 3. If precipitate formation was observed, the suspension was filtered and the filter cake was washed with deionized water to obtain a pure product. If no precipitate formation was observed, the aqueous solution was extracted with ethyl acetate (3 x 4 mL). The organic phases were combined, washed with 1 M hydrochloric acid (3 x 4 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the pure product. | [References]
[1] Journal of Heterocyclic Chemistry, 2010, vol. 47, # 4, p. 913 - 922
[2] Polyhedron, 2011, vol. 30, # 15, p. 2606 - 2610
[3] Mendeleev Communications, 2011, vol. 21, # 6, p. 334 - 336
[4] European Journal of Organic Chemistry, 2014, vol. 2014, # 2, p. 436 - 441
[5] European Journal of Organic Chemistry, 2014, vol. 2014, # 2, p. 436 - 441 |
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