2-Tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione → [2-(2-Tert-butyl-1,1,3-trioxo-2,3-dihydro-1h-1lambda6-isothiazol-5-yl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-7-ylmethyl]-carbamic acid tert-butyl ester trifluoroacetate

Participants

Role	Name	HCID	Charge
Reactant	2-Tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione	HCID 21878638	—
Reactant	[7-([(Tert-butoxycarbonyl)amino]methyl)-6-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]boronic acid trifluoroacetate	HCID 69597751	—
Product	[2-(2-Tert-butyl-1,1,3-trioxo-2,3-dihydro-1h-1lambda6-isothiazol-5-yl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-7-ylmethyl]-carbamic acid tert-butyl ester trifluoroacetate	HCID 69597800	—

Reaction Steps

This compound was prepared according to the procedure of Example 1.1, Step 4, using 9-A and 4.11-C as the starting materials. 1H NMR (500 MHz, CDCl3): δ 7.56 (s, 1H), 7.36 (d, J=8.4 Hz, 2H), 6.96 (d, J=8.4 Hz, 2H), 6.46 (s, 1H), 4.75–4.65 (m, 1H), 4.58–4.50 (m, 1H), (m, 1H), 4.08–4.00 (m, 1H), 3.83 (s, 3H), 3.80–3.65 (m, 3H), 3.55–3.48 (m, 1H), 3.18–3.10 (m, 2H), 1.75 (s, 9H), 1.36 (s, 9H); LCMS found for C28H38N3O6S2 (M+H)+: m/z=576.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US07141596B2
Source dataset	uspto-grants-2006_11
ORD ID	ord-e4d33e4879a84d3d990ed9dd8718c865
Source note	uspto-grants-2006_11