Water → Ilorasertib

HRID 473291Notes

Reaction equation

HRID 473291 reaction equation
C(O)(=O)CC(O)=O.[NH2:8][C:9]1[C:14]2[C:15]([C:18]3[CH:23]=[CH:22][C:21]([NH:24][C:25]([NH:27][C:28]4[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[CH:29]=4)=[O:26])=[CH:20][CH:19]=3)=[CH:16][S:17][C:13]=2[C:12]([C:35]2[CH:36]=[N:37][N:38]([CH2:40][CH2:41][OH:42])[CH:39]=2)=[CH:11][N:10]=1.O>O1CCCC1>[NH2:8][C:9]1[C:14]2[C:15]([C:18]3[CH:19]=[CH:20][C:21]([NH:24][C:25]([NH:27][C:28]4[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[CH:29]=4)=[O:26])=[CH:22][CH:23]=3)=[CH:16][S:17][C:13]=2[C:12]([C:35]2[CH:36]=[N:37][N:38]([CH2:40][CH2:41][OH:42])[CH:39]=2)=[CH:11][N:10]=1

Participants

4

Reactant 2

HCID 962WaterHCID 54759634HCID 54759634, compound

Product 1

HCID 46207586Ilorasertib

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

There is further provided a process for preparing N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea malonate in a solid crystalline form, wherein the crystalline form is Form I, comprising: a) providing a mixture comprising (i) N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea bimalonate solid, water, and tetrahydrofuran; and b) causing N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea malonate crystalline Form Ito exist in the mixture.

Workup

  1. customThere is further provided a process

Sources & evidence

ORD record
ord-262a9b9d6b59429fad52134b89439731
Source dataset
uspto-grants-2014_01
Patent number
US08633317B2

Reaction notes

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