Methyl iodide → HCID 11279959, compound

HRID 1816894Notes

Reaction equation

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

Participants

Reactant 2

HCID 6328Methyl iodide

HCID 11221807HCID 11221807, compound

Product 1

HCID 11279959HCID 11279959, compound

Procedure

Prepared from 5-[5-methyl-2-oxo-5-(3-thienyl)-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 10.16 (s, 1H), 7.56 (dd, J=2.92, 5.02 Hz, 1H), 7.42 (dd, J=1.90, 8.42 Hz, 1H), 7.28-7.23 (m, 3H), 7.09 (dd, J=1.06, 4.83 Hz, 1H), 7.01 (d, J=4.06 Hz, 1H), 6.30 (d, J=4.08 Hz, 1H), 4.20 (d, J=15.95 Hz, 1H), 4.05 (d, J=15.93 Hz, 1H), 3.65 (s, 3H), 1.96 (s, 3H); MS (ES) m/z 362 ([M−H]−, 100%).

Sources & evidence

ORD record: ord-be3cbe32c75b484ab9a88814fba33b7a
Source dataset: uspto-grants-2009_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07598237B2

Reaction notes

Loading…