4-Carboxyisothiazole

A solution of isothiazole-4- carboxylic acid (1 g, 1.1 A mmol) in CH2Cl2 (15 niL) and DMF (0.060 mL, 0.774 mmol) was cooled to 0 0C, and oxalyl chloride (0.813 mL, 9.29 mmol) was added dropwise over 10 min. The reaction mixture was warmed to RT and stirred for 1 h. The resulting acid chloride solution was added to a cooled solution of N-methoxy-N-methyl-amine hydrochloride and K2CO3 (4.82 g, 34.8 mmol) in 10 mL water. The mixture was stirred at rt overnight and then extracted twice with EtOAc. The combined organic layers were washed with brine, dried over anhydrous Na2SO4, filtered, and concentrated to yield N-methoxy-iV-methyl-isothiazole^-carboxamide. 1H NMR (400 MHz, CDCl3): delta 9.25 (s, IH), 8.93 (s, IH), 3.66 (s, 3H), 3.36 (s, 3H).A mixture of l-[(5R)-5-oxido-4-(tetrahydropyran-4-ylamino)-6, 7-dihydrothieno[3, 2- d]pyrimidin-5-ium-2-yl]azetidin-3-ol (50 mg, 0.154 mmol), To a solution of l-[4-[propyl(tetrahydropyran-4-yl)amino]-5-oxido-6, 7-dihydro- thieno[3, 2-d]pyrimidin-5-ium-2-yl]azetidin-3-ol (5.0 mg, 14 muiotatauiotaomicronIota) in DCE (0.2 mL) was added solutions of

Molecular Weight:129.14
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:128.98844951
Monoisotopic Mass:128.98844951
Topological Polar Surface Area:78.4
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes