HCID 23676710, compound → HCID 89442538, compound

HRID 632718Notes

Reaction equation

HRID 632718 reaction equation
FC(F)(F)C(O)=O.C[O:9][C:10](=[O:45])[C:11]1[CH:16]=[CH:15][C:14]([C:17]2[C:18]([NH2:44])=[N:19][CH:20]=[N:21][C:22]=2[N:23]2[CH2:28][CH2:27][N:26]([CH:29]([C:34]3[CH:39]=[CH:38][C:37]([C:40]([F:43])([F:42])[F:41])=[CH:36][CH:35]=3)[CH2:30][N:31]([CH3:33])[CH3:32])[CH2:25][CH2:24]2)=[CH:13][CH:12]=1.O.O.[OH-].[Li+]>C1COCC1.O>[NH2:44][C:18]1[C:17]([C:14]2[CH:13]=[CH:12][C:11]([C:10]([OH:45])=[O:9])=[CH:16][CH:15]=2)=[C:22]([N:23]2[CH2:24][CH2:25][N:26]([CH:29]([C:34]3[CH:35]=[CH:36][C:37]([C:40]([F:43])([F:42])[F:41])=[CH:38][CH:39]=3)[CH2:30][N:31]([CH3:33])[CH3:32])[CH2:27][CH2:28]2)[N:21]=[CH:20][N:19]=1

Participants

5

Reactant 2

HCID 23676710HCID 23676710, compoundHCID 89442515HCID 89442515, compound

Product 1

HCID 89442538HCID 89442538, compound

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 8028TetrahydrofuranSolvent

Procedure

In a round bottle flask containing 4-(4-Amino-6-{4-[2-dimethylamino-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-pyrimidin-5-yl)-benzoic acid methyl ester trifluoroacetic acid (36.00 mg; 0.06 mmol; 1.00 eq.) in THF (2.00 ml) and water (2.00 ml) was added 1 N lithium hydroxide monohydrate water solution. The mixture was stirred at rt for 4 h before it was concentrated and purified with waters prep-HPLC. LC-MS: (M+1=515, obsd.=515)

Workup

  1. concentrationwas concentrated
  2. custompurified with waters prep-HPLC

Sources & evidence

ORD record
ord-04023419e9dc46adadae7c69f131c9b4
Source dataset
uspto-grants-2016_04
Patent number
US09321760B2

Reaction notes

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