1383924-63-7|Ethyl (2-(prop-1-yn-1-yl)pyridin-3-yl)carbamate| Ambeed

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CAS No. :	1383924-63-7
Formula :	C₁₁H₁₂N₂O₂
M.W :	204.23
SMILES Code :	O=C(OCC)NC1=CC=CN=C1C#CC

Yield	Reaction Conditions	Operation in experiment
	With ethanol; sodium hydroxide; at 80℃; for 1.5h;	2-methyl-l H-py rrolo [3,2-b] pyridine; [00365] To a 10 C solution of 2-chloropyridin-3 -amine (2.00 g, 15.6 mmol) in 1,4- dioxane (20. mL) was added an aqueous solution of 1M sodium hydroxide (31.2 mL, 31.2 mmol). To this reaction mixture was added ethyl chloroformate (1.80 mL, 18.7 mmol), and the reaction was warmed to room temperature. After 2 hours, an additional ethylchloroformate (0.8 mL) was added, and the reaction was stirred at room temperature for 12 hours, after which it was complete by LCMS analysis. The reaction mixture was diluted in water (50 mL), extracted with ethyl acetate (3 x 50 mL), washed with saturated sodium chloride solution (1 x 50 mL), dried (sodium sulfate), filtered and concentrated to afford a yellow oil which was purified on silica gel (ISCO 80g, 20 mL/min ) using 15% ethyl acetate in hexanes over 60 minutes. Ethyl 2-chloropyridin-3-yl carbamate (2.21 g, 11.0 mmol, 71 % yield) was isolated as a white solid. NMR (400 MHz, CDC13) a (ppm): 8.51 (d, 1H), 8.07 (dd, 1H), 7.23-7.27 (m, 1H), 7.13 (br. s, 1H), 4.28 (q, 2H), 1.34 (t, 3H).[00366] To a suspension of lithium chloride (341 mg, 8.05 mmol) in 1,4-dioxane (16.4 mL) was added ethyl 2-chloropyridin-3-yl carbamate (660 mg, 3.29 mmol), tributyl(prop-l- ynyl)stannane (1.00 mL, 3.29 mmol) and Pd(Ph3P) (76.0 mg, 0.0660 mmol). The mixture was refluxed for 1.5 hours, after which the reaction showed >75% product with some starting material remaining. The reaction was continued heating for 12 hours (overnight), after which it was cooled, diluted with water, extracted with ethyl acetate (3 x 50 mL), washed with saturated aqueous sodium hydrogen carbonate solution (3 x 50 mL), followed by brine (3 x 50 mL), dried (sodium sulfate), filtered and concentrated to a residue. Purification was achieved by silica gel chromatography (Luknova 120g, 20 mL/min) using 10 to 60% ethyl acetate in hexanes over 60 minutes affording ethyl 2-(prop-l-ynyl)pyridin-3-ylcarbamate (420 mg, 2.06 mmol, 63 % yield) as a gold oil. NMR (400 MHz, CDC13) a (ppm): 8.45 (d, 1H), 8.21 (dd, 1H), 7.34 (br. s, 1H), 7.21 (dd, 1H), 4.27 (q, 2H), 2.19 (s, 3H), 1.34 (t, 3H).[00367] To a solution of ethyl 2-(prop- 1 -ynyl)pyridin-3-ylcarbamate (400 mg, 1.96 mmol) in absolute ethanol (653 mu) was added solid sodium hydroxide (400 mg, 5.88 mmol). The reaction was heated to 80 C for 1.5 hours, after which the reaction mixture was cooled, diluted in water, extracted with dichloromethane (3 x 50 mL), dried (sodium sulfate), filtered and concentrated to a pink solid. This solid was isolated -90% pure as 2 -methyl- 1H- pyrrolo[3,2-b]pyridine (250 mg, 1.70 mmol, 87 % yield), and used without further purification in the next step. NMR (400 MHz, CDC13) a (ppm): 8.39 (dd, 1H), 8.22 (br. s, 1H), 7.55 (d, 1H), 7.02 (dd, 1H), 6.44 (s, 1H), 2.51 (s, 3H).
	With sodium ethanolate; In ethanol; for 1.5h;Heating / reflux;	Preparation Example 25-3 2-Methylpyrrolo[3,2-b]pyridine To a solution of ethyl-2-(1-propyn-1-yl)-3-pyridyl carbamate (10.9 g) in ethanol was added a 21% solution (50 ml) of sodium ethylate in ethanol and the mixture was refluxed under heating.. After 1.5 hr, the reaction mixture was cooled and water was added, which was followed by three times of extraction with dichloromethane.. The organic layer was dried over anhydrous magnesium sulfate, and filtrated.. The filtrate was concentrated and the residue was crystallized from ethyl acetate to give the objective compound (6.5 g) as pale-brown crystals. 1H-NMR(CDCl3): 2.41(3H, s), 6.23(1H, s), 6.97(1H, dd, J=8, 5 Hz), 7.60(1H, d, J=8 Hz), 8.19(1H, br d, J=5 Hz) MASS(ESI): m/z 133(M+1) mp 193-195 C.

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Environmental hazards
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H400	Very toxic to aquatic life
H401	Toxic to aquatic life
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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1383924-63-7

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CAS No.: 1383924-63-7

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