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+

CAS No. :	799293-88-2
Formula :	C₇H₃BrINOS
M.W :	355.98
SMILES Code :	O=C1C(C(Br)=CS2)=C2C(I)=CN1
English Name :	3-Bromo-7-iodothieno[3,2-c]pyridin-4(5H)-one
MDL No. :	MFCD25967330

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Yield	Reaction Conditions	Operation in experiment
74%	With N-iodo-succinimide In N,N-dimethyl-formamide at 20℃;	1.5 Step 5: Preparation of 3-bromo-7-iodo-thieno[3,2-c]pyridin-4(5H)-one (1k) NIS (16.4 g, 73.0 mmol) was added in batches to 3-bromothieno[3,2-c]pyridin-4(5H)-one (1j) (14.0 g, 60.9 mmol) in DMF (200 mL) at room temperature. The mixture was stirred at room temperature overnight. The reaction solution was poured into water (500 mL) and filtered. The filter cake was washed with water and acetonitrile in turn and dried in vacuo to give 16.0 g of the title compound as a brown solid with a yield of 74.0%.
66%	With N-iodo-succinimide In tetrahydrofuran; N,N-dimethyl-formamide at 40℃;
	With N-iodo-succinimide In tetrahydrofuran; DMF (N,N-dimethyl-formamide) at 40℃; for 5h;	11.a a) 3-Bromo-7-iodo-5H-thieno[3,2-c]pyridine-4-one (13) The mixture of compound 10 (see Example 4 (c) ) (1.9 g, 8. 3 MMOL) and N- iodosuccimide (NIS, 2.2 g, 49.9 MMOL) in DMF (25 ML) and THF (20 ml) was stirred for 5 hours at 40 °C. The reaction mixture was poured into 10% Na2SO3 and ethyl acetate. The insoluble product was collected by filtration, washed with ethyl acetate and dried under reduced pressure to give 3-bromo-7-iodo-5H-thieno [3,2-c] pyridin-4-one (990 mg). The filtrate was collected, dried over NA2SO4, filtered and concentrated in vacuo. The generated precipitate was washed with MEOH to further yield 3-bromo-7-iodo-5H- thieno [3,2-c] pyridin-4-one (1. 1 g). 1H NMR (400MHZ, DMSO-D6) ppm 11.75 (s, 1H), 7.79 (s, 1 H), 7.57 (s, 1 H).

	With N-iodo-succinimide In N,N-dimethyl-formamide at 20℃; for 24h;	A. 3-Bromo-7-iodothieno[3,2-c]pyridin-4(5H)-one (13) To a solution of 3-bromothieno[3,2-c]pyridin-4(5H)-one (20 g, 87 mmol) in DMF (200 mL) was added N-iodosuccinimide(21 g, 91 mmol). The reaction was allowed to stir at room temperature for 24 h. The solvents were removed under vacuum. To the residue obtained was added diethylether and was allowed to stir for 30 min. and filtered. The diethylether wash was repeated 3 times and the solid obtained was dried to afford 26 g of 3-bromo-7-iodothieno[3,2-c]pyridin-4(5H)-oneas a white solid. This compound was taken to the next step without further purification. 1H NMR(300 MHz, d6-DMSO) d: ppm 7.55 (s, 1H); 7.77 (s, 1H); 11.73 (bs, 1H).LC-MS: [M+1]+ 358
26 g	With N-iodo-succinimide In tetrahydrofuran at 20℃; for 24h;	3-Bromo-7-iodothieno[3,2-c]pyridin-4(5H)-one Toa solution of 3-bromothieno[3,2-c]pyridin-4(5H)-one (20g, 87 mmol) in DMF (200 mL) was added N-iodosuccinimide (21g,91 mmol). The reaction was allowed to stir at room temperature for 24 h. The solvents were removed under vacuum. To the residue obtained was added diethylether and was allowed to stir for 30 min. and filtered. The diethylether wash was repeated 3 times and the solid obtained was dried to afford 26 g of 3-bromo-7-iodothieno[3,2-c]pyridin-4(5H)-one as a white solid. This compound was taken to the next step without further purification. 1HNMR (300 MHz, d6-DMSO) d: ppm 7.55 (s,1H); 7.77 (s, 1H); 11.73 (bs, 1H). LC-MS: [M+1]+ 358 Mass Calculated for C7H3BrINOS, 355.98

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CAS No.: 799293-88-2

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CAS No.: 799293-88-2

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[ 799293-88-2 ] Synthesis Path-Downstream 1~1

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