717900-74-8|tert-Butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate| Ambeed

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CAS No. :	717900-74-8
Formula :	C₁₆H₂₁ClN₄O₂
M.W :	336.82
SMILES Code :	ClC1=C(C=CN2C3CCN(C(OC(C)(C)C)=O)CC3)C2=NC=N1
MDL No. :	MFCD29053072

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Yield	Reaction Conditions	Operation in experiment
74%	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 - 50℃; for 5.5h;	Example 1 tert-butyl 4-{4-[5-(methylsulfonyl)-2,3-dihydro-1H-indol-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}piperidine-1-carboxylate; [Show Image] To a mixture of <strong>[387350-92-7]5-(methylsulfonyl)-2,3-dihydro-1H-indole</strong> (97 mg, 0.49 mmol), tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate (150 mg, 0.45 mmol) obtained in Reference Example 1, and N,N-dimethylformamide (5 mL) was added sodium hydride (60%, oil, 39 mg, 0.98 mmol), and the mixture was stirred at room temperature for 0.5 hr, and at 50C for 5 hr. The reaction mixture was allowed to cool to room temperature, water was added thereto, and the mixture was extracted with ethyl acetate. The organic layer was washed with saturated brine, dried over anhydrous magnesium sulfate and filtered. The filtrate was concentrated. The residue was crystallized from ethyl acetate to give the title compound as colorless crystals (163 mg, yield 74%). 1H-NMR (300 MHz, DMSO-d6)δ:1.44 (s, 9 H), 1.83 - 2.01 (m, 4 H), 2.83 - 3.06 (m, 2 H), 3.16 (s, 3 H), 3.32 - 3.40 (m, 2 H), 4.08 - 4.21 (m, 2 H), 4.62 (t, J = 8.7 Hz, 2 H), 4.76 - 4.92 (m, 1 H), 6.80 (d, J = 3.8 Hz, 1 H), 7.62 (d, J = 3.8 Hz, 1 H), 7.72 - 7.78 8 (m, 2 H), 8.45 (s, 1 H), 8.69 (d, J = 9.1 Hz, 1 H).
74%	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 - 50℃;	To a mixture of compound 1 (97 mg, 0.49 mmol) and compound 41 (150 mg, 0.445 mmol) in DMF (5 mL) was added sodium hydride (60% oil dispersion, 39 mg, 0.98 mmol). After stirring at room temperature for 30 min, the mixture was stirred at 50 C for 15 h. The reaction was cooled to room temperature followed by addition of water. The mixture was extracted with AcOEt, washed with brine, dried over MgSO4, and concentrated under reduced pressure. The residue was crystallized from AcOEt to give the title compound as a solid (163 mg, 74%). MS (ESI) m/z 498 [M+H]+. 1H NMR (300 MHz, DMSO-d6) δ 1.44 (9H, s), 1.83-2.01 (4H, m), 2.83-3.06 (2H, m), 3.16 (3H, s), 3.32-3.40 (2H, m), 4.08-4.21 (2H, m), 4.62 (2H, t, J = 8.7 Hz), 4.76-4.92 (1H, m), 6.80 (1H, d, J = 3.8 Hz), 7.62 (1H, d, J = 3.8 Hz), 7.72-7.78 (2H, m), 8.45 (1H, s), 8.69 (1H, t, J = 9.1 Hz). 13C NMR (100.6 MHz, CDCl3) δ 27.9, 28.5, 32.4, 43.3, 45.0, 51.1, 51.7, 80.0, 101.0, 105.4, 116.3, 121.8, 123.6, 128.0, 132.6, 133.0, 149.2, 150.5, 151.2, 153.7, 154.7. Mp 238-240 C. Anal. Calcd for C25H31N5O4S·0.1AcOEt: C, 60.24; H, 6.33; N, 13.83. Found: C, 60.42; H, 6.20; N, 13.54.

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CAS No.: 717900-74-8

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CAS No.: 717900-74-8

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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
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H301	Toxic if swallowed
H302	Harmful if swallowed
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