p-Toluenesulfonic acid → HCID 58290847, compound

HRID 2046983Notes

Reaction equation

Cl[C:2]1[N:7]=[C:6]([Cl:8])[C:5]([C:9]#[N:10])=[C:4]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[S:18]([CH:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])[N:3]=1.[CH:24]([O:27][C:28]1[CH:34]=[C:33]([CH:35]2[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]2)[C:32]([CH3:42])=[CH:31][C:29]=1[NH2:30])([CH3:26])[CH3:25].CC1C=CC(S(O)(=O)=O)=CC=1>C(O)(C)C>[Cl:8][C:6]1[C:5]([C:9]#[N:10])=[C:4]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[S:18]([CH:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])[N:3]=[C:2]([NH:30][C:29]2[CH:31]=[C:32]([CH3:42])[C:33]([CH:35]3[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]3)=[CH:34][C:28]=2[O:27][CH:24]([CH3:26])[CH3:25])[N:7]=1

Participants

Conditions

Temperature: 120 °C

Procedure

To a solution of 2,4-dichloro-6-(2-(isopropylsulfonyl)phenylamino)pyrimidine-5-carbonitrile (0.5 mmol) and 2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)aniline (0.5 mmol) in 3 mL of isopropanol, was added 4-methylbenzenesulfonic acid (0.5 mmol). The suspension was stirred at 120° C. for 2 hours. Product was obtained after work-up and prep-HPLC. MS (ES+): 597.23 (M+1)+.

Workup

customProduct was obtained after work-up

Sources & evidence

ORD record: ord-0c726ddbb4774cd4ba7aa1c05e53c0fe
Source dataset: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08592432B2

Reaction notes

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