Methyl iodide → HCID 11339440, compound

HRID 1816897Notes

Reaction equation

[O:1]=[C:2]1[CH2:8][O:7][C:6]([C:14]2[S:15][CH:16]=[CH:17][CH:18]=2)([C:9]2[S:10][CH:11]=[CH:12][CH:13]=2)[C:5]2[CH:19]=[C:20]([C:23]3[NH:27][C:26]([C:28]#[N:29])=[CH:25][CH:24]=3)[CH:21]=[CH:22][C:4]=2[NH:3]1.I[CH3:31]>>[CH3:31][N:27]1[C:23]([C:20]2[CH:21]=[CH:22][C:4]3[NH:3][C:2](=[O:1])[CH2:8][O:7][C:6]([C:14]4[S:15][CH:16]=[CH:17][CH:18]=4)([C:9]4[S:10][CH:11]=[CH:12][CH:13]=4)[C:5]=3[CH:19]=2)=[CH:24][CH:25]=[C:26]1[C:28]#[N:29]

Participants

Reactant 2

HCID 6328Methyl iodide

HCID 11350586HCID 11350586, compound

Product 1

HCID 11339440HCID 11339440, compound

Procedure

Prepared from 5-(2-oxo-5,5-dithien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile and iodomethane generally according to the procedure of example 3. 1H-NMR (DMSO-d6) δ 10.33 (s, 1H), 7.63 (dd, J=5.0, 1.1 Hz, 2H), 7.50 (dd, J=8.3, 2.1 Hz, 1H), 7.29 (d, J=8.4 Hz, 1H), 7.03 (m, 4H), 6.89 (dd, J=3.6, 1.1 Hz, 2H), 6.18 (d, J=4.0 Hz, 1H), 4.25 (s, 2H), 3.49 (s, 3H); MS (ES) m/z 432 (M+H)+.

Sources & evidence

ORD record: ord-db8f22e3e168459bb2f19f6e5b0c0618
Source dataset: uspto-grants-2009_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07598237B2

Reaction notes

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