1036027-52-7|5-(Trifluoromethyl)-3-((trimethylsilyl)ethynyl)pyridin-2-amine| Ambeed

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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CAS No. :	1036027-52-7
Formula :	C₁₁H₁₃F₃N₂Si
M.W :	258.32
SMILES Code :	NC1=NC=C(C(F)(F)F)C=C1C#C[Si](C)(C)C
MDL No. :	MFCD12026753

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301-H318
Precautionary Statements:	P280-P301+P310-P305+P351+P338
Class:	8(6.1)
UN#:	2923
Packing Group:	Ⅲ

Yield	Reaction Conditions	Operation in experiment
59%		[0186] To a stirred solution of potassium tert-butoxide (53.6g, 479 mmol) in anhydrous NMP (20OmL) under a nitrogen atmosphere at 80 0C was added a solution of 5-trifluoromethyl-3- ((trimethylsilyl)ethynyl)pyridin-2-amine (62g, 239 mmol) in NMP (10OmL) at a rate to maintain the internal temperature below 100 0C. After complete addition the reaction was deemed complete by LCMS. The reaction mixture was allowed to cool to room temperature and poured carefully into sarurated'brine (70OmL) cooled in an ice bath to 10 0C. The precipitate that formed was aged for 45 min at this temperature and isolated by filtration through buchner funnel. The collected precipitate was stirred in ethyl acetate (1 litre) and water then filtered through celite to remove insoluble polymeric material and organic layer was separated. The aqueous layer was further extracted with ethyl acetate and the combined organic layers dried over magnesium sulfate and concentrated to give a brown solid which was triturated by stirring for an hour in hot heptane and then cooling before filtration, to afford 5- Trifluoromethyl -lH-pyrrolo[2,3-b]pyridine as a crystalline solid (26.38g, 59% yield).
48%	With potassium tert-butylate; In 1-methyl-pyrrolidin-2-one; at 80℃; for 4h;Inert atmosphere;	[0524] To a stirred solution of 5-(trifluoromethyl)-3-((trimethylsilyl) ethynyl) pyridin-2- amine (100 g, 329 mmol) in NMP (600 mL) at room temperature under an argon atmosphere was added potassium tertiary butoxide (92 g, 778 mmol). The reaction mixture was stirred at 80 C for 4 h. After consumption of starting material (by TLC), the reaction mixture was diluted with water (200 mL) and extracted with EtOAc (2 x 200 mL). The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo to obtain 5- (trifluoromethyl)- 1H-pyrrolo [2,3-bj pyridine (35 g, 48%) as a pale brown solid.?H NMR (DMSO-d6, 400 MHz): 12.18 (s, 1H), 8.54 (s, 1H), 8.38 (s, 1H), 7.69 (d, 1H), 6.60 (s, 1H); TLC: 30% EtOAc Hexane (Rj: 0.3).
	With potassium tert-butylate; In 1-methyl-pyrrolidin-2-one; at 90℃; for 3h;	c) 5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine can be prepared as follows: A solution of 3.4 g of 5-trifluoromethyl-3-[(trimethylsilyl)ethynyl]pyridin-2-amine and 2.96 g of potassium tert-butylate in 55 cm3 of N-methylpyrrolidinone is heated at 90 C. for three hours. The mixture is cooled to room temperature then poured slowly into 250 cm3 of water saturated with ammonium chloride. The mixture is diluted with ethyl acetate, filtered and the phases are separated into their isomers and the aqueous phase is extracted with ethyl acetate (2*100 cm3). The organic phases are combined, dried over magnesium sulphate and concentrated under vacuum. The residue is taken up slowly in water and the resultant suspension is filtered. The solid is dried under vacuum to obtain 1.58 g of 5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine in the form of a brown powder with the following characteristics: LC-MS: retention time 3.55 min; 187(+)=(M+H)(+). 1H-NMR spectrum at 400 MHz: 6.63 (dd, J=1.7 and 3.5 Hz, 1H); 7.69 (dd, J=2.2 and 3.5 Hz, 1H); 8.38 (d, J=1.7 Hz, 1H); 8.55 (d, J=2.2 Hz, 1H); 12.16 (s broad, 1H).

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CAS No.: 1036027-52-7

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CAS No.: 1036027-52-7

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
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P391	Collect spillage. Hazardous to the aquatic environment
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
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