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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2252582Generated: November 2, 2026

5-Bromo-4-methylthiophene-2-carbonitrile → 4-Methyl-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile

https://huagongshe.com/reaction/2252582

Reaction equation

Participants

RoleNameHCIDCharge
Reactant5-Bromo-4-methylthiophene-2-carbonitrileHCID 21986234—
Reactant7-Bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-oneHCID 68866109—
Product4-Methyl-5-(5-methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrileHCID 11428947—

Reaction Steps

Prepared from 7-bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 5-bromo4-methylthiophene-2-carbonitrile generally according to the coupling procedure described in examples 82 and 1. 1H-NMR (DMSO-d6) δ 10.26 (s, 1H), 7.83 (s, 1H), 7.56 (dd, J=4.9, 1.1 Hz, 1H), 7.47 (dd, J=8.5, 2.2 Hz, 1H), 7.32 (d, J=2.2 Hz, 1H), 7.29 (d, J=8.5 Hz, 1H), 7.00 (m, 1H), 6.96 (m, 1H), 4.23 (d, J=15.9 Hz, 1H), 4.13 (d, J=15.9 Hz, 1H), 2.19 (s, 3H), 2.03 (s, 3H); MS (ES) m/z 381 (M+H)+; Anal. Calc. For C20H16N2O2S2: C, 63.14; H, 4.24; N, 7.36. Found: C, 62.85; H, 4.16; N, 7.09.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07323455B2
Source datasetuspto-grants-2008_01
ORD IDord-502d93c766134ed09020f8592677dc5c
Source noteuspto-grants-2008_01