HCID 86610057, compound → Bosutinib monohydrate

HRID 2093375Notes

Reaction equation

HRID 2093375 reaction equation
C[O-].[Cl:3][C:4]1[CH:9]=[C:8]([Cl:10])[C:7]([O:11][CH3:12])=[CH:6][C:5]=1[NH:13][C:14]1[C:23]2[C:18](=[CH:19][C:20]([O:26][CH2:27][CH2:28][CH2:29][N:30]3[CH2:35][CH2:34][N:33]([CH3:36])[CH2:32][CH2:31]3)=[C:21]([O:24][CH3:25])[CH:22]=2)[N:17]=[CH:16][C:15]=1[C:37]#[N:38]>O>[OH2:11].[Cl:3][C:4]1[CH:9]=[C:8]([Cl:10])[C:7]([O:11][CH3:12])=[CH:6][C:5]=1[NH:13][C:14]1[C:23]2[C:18](=[CH:19][C:20]([O:26][CH2:27][CH2:28][CH2:29][N:30]3[CH2:35][CH2:34][N:33]([CH3:36])[CH2:32][CH2:31]3)=[C:21]([O:24][CH3:25])[CH:22]=2)[N:17]=[CH:16][C:15]=1[C:37]#[N:38]

Participants

3

Reactant 1

HCID 86610057HCID 86610057, compound

Product 1

HCID 11990828Bosutinib monohydrate

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile methanolate, Form VI (1.0 g) was heated with stirring for 5 hours at 95° C. in 12 mL of water. The mixture was cooled to room temperature and filtered. The cake was washed with 2 mL water and vacuum dried at 45° C. to give 0.9 g of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile monohydrate, Form I by XRD scans.

Workup

  1. filtrationfiltered
  2. washThe cake was washed with 2 mL water and vacuum
  3. customdried at 45° C.

Sources & evidence

ORD record
ord-41b4dce9ca4142acaeec695f08173637
Source dataset
uspto-grants-2013_05
Patent number
US08445496B2

Reaction notes

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