2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE
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2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE
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CAS No:
766545-20-4
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Formula:
C8H10Cl2N2
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Chemical Name:
2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE
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Synonyms:
2-chloro-5;6-naphthyridine hydrochloride;8-tetrahydro-1;2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HCL;2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-PHTHYRIDINE HYDROCHLORIDE;1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro-, hydrochloride
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CAS No:
2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE Basic Attributes
168.62
204.022110
DTXSID20593904
2933990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE Use and Manufacturing
6-Benzyl-2-chloro-7, 8-dihydro-5H-1, 6-naphthyridine (2.70 g, 10.43 mmol, 1.00 eq) was dissolved in dichloroethane (50.00 mL), 1-chloroethyl carbonyl chloride (2.24 g, 15.65 mmol, 1.50 eq) was added at 15 °C under the nitrogen gas atmosphere. A 10. 3g (0. 073mol) 6- benzyl-2-chloro-5, 6, 7, 8-tetrahydro-1, 6-naphthyridine is added to the reaction flask containing 500mL 150mL of room temperature with stirring, was added dropwise 13. 6g (0. 095mol) 1- chloroethyl chloroformate to the reaction solution, 15 minutes after the addition was complete, the reaction was warmed to reflux, after 20 hours to room temperature, evaporated under reduced pressure the solvent was added 200ml methanol, warmed to reflux for 3 hours, was added 200mL ethyl acetate was distilled off under reduced pressure to remove the solvent, a white solid was precipitated, stirring for 30 minutes, filtered and dried to give a white solid 5. lg, mp> 300 ° C.10.3 g (0.073 mol) of 6-benzyl-2-chloro-5, 6, 7, 8-tetrahydro-1, 6-naphthyridine was added to a solution of 150 mLOf the 500 mL reaction flask, Room temperature stirring, A solution of 13.6 g (0.095 mol) of 1-chloroethyl chloroformate was added dropwise, After 15 minutes, Heating to reflux reaction, After 20 hours to room temperature, After evaporation of the solvent under reduced pressure, 200 ml of methanol was added, The temperature was raised to reflux for 3 hours, After evaporation of the solvent under reduced pressure, 200 mL of ethyl acetate was added and precipitated as a white solid. After stirring for 30 minutes, the mixture was filtered and dried to give 5.1 g of a white solid, To a flask was added 2-chloro-5, 6, 7, 8-tetrahydro-l, 6-naphthyridine hydrochloride (CAS: 766545-20-4, Vendor: PharmaBlock, 60 mg, 293 pmol), methyl iodide (62 mg, 27 m., 439 pmol), K2CO3 (40 mg, 293 pmol) and THF (4 mL), the suspension was heated to 50 C for 2 hrs. After being cooled down, the mixture was filtered through celite and concentrated to give compound 34a (55 mg) as a pale yellow solid. MS: calc'd 183 (MH+), measured 183 (MH+).
Computed Properties
Molecular Weight:205.08
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:204.0221037
Monoisotopic Mass:204.0221037
Topological Polar Surface Area:24.9
Heavy Atom Count:12
Complexity:140
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE
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