4-[(methylsulfonyl)methyl]aniline(SALTDATA: FREE) → HCID 10196841, compound

HRID 1391578Notes

Reaction equation

HRID 1391578 reaction equation
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][NH:7][C:8]2[N:12]([CH3:13])[C:11]3[CH:14]=[CH:15][C:16]([N:18]([C:20]4[CH:25]=[CH:24][N:23]=[C:22](Cl)[N:21]=4)[CH3:19])=[CH:17][C:10]=3[N:9]=2)=[CH:4][CH:3]=1.[CH3:29][S:30]([CH2:33][C:34]1[CH:40]=[CH:39][C:37]([NH2:38])=[CH:36][CH:35]=1)(=[O:32])=[O:31]>>[ClH:1].[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][NH:7][C:8]2[N:12]([CH3:13])[C:11]3[CH:14]=[CH:15][C:16]([N:18]([C:20]4[CH:25]=[CH:24][N:23]=[C:22]([NH:38][C:37]5[CH:39]=[CH:40][C:34]([CH2:33][S:30]([CH3:29])(=[O:32])=[O:31])=[CH:35][CH:36]=5)[N:21]=4)[CH3:19])=[CH:17][C:10]=3[N:9]=2)=[CH:27][CH:28]=1

Participants

3

Reactant 2

HCID 128439644-[(methylsulfonyl)methyl]aniline(SALTDATA: FREE)HCID 59674100HCID 59674100, compound

Product 1

HCID 10196841HCID 10196841, compound

Procedure

The title compound was prepared following the procedure of example one with N2-(4-Chloro-benzyl)-N5-(2-chloro-pyrimidin-4-yl)-1,N5-dimethyl-1H-benzoimidazole-2,5-diamine (103 mg, 0.25 mmol) and 4-[(methylsulfonyl)methyl]aniline (46 mg, 0.25 mmol) as a white solid (61 mg, 41%). 1H NMR (300 MHz, d6-DMSO+NaHCO3) δ 9.20 (s, 1H), 7.76-7.80 (m, 3H), 7.36-7.43 (m, 5H), 7.24 (d, J=8.1 Hz, 2H), 7.08 (d, J=1.8 Hz, 1H), 6.85 (dd, J=8.1 and 1.8 Hz, 1H), 5.63 (d, J=6.0 Hz, 1H), 4.58 (d, J=5.7 Hz, 2H), 4.34 (s, 2H), 3.58 (s, 3H), 3.43 (s, 3H), 2.85 (s, 3H). MS (ESI) m/z=562 [M+H]+.

Sources & evidence

ORD record
ord-b11de99b00b84a23a35e79576279352d
Source dataset
uspto-grants-2008_03
Patent number
US07338959B2

Reaction notes

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