HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Potassium Carbonate → HCID 178494126, compound

HRID 474769
Notes
Print preview

Reaction equation

HRID 474769 reaction equation
F[C:2]1[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][C:12]2[NH:13][CH:14]=[C:15]([CH2:19][C:20]3[CH:21]=[N:22][C:23]([O:26][CH3:27])=[N:24][CH:25]=3)[C:16](=[O:18])[N:17]=2)=[CH:6][C:3]=1[C:4]#[N:5].[Cl:28][C:29]1[CH:34]=[CH:33][C:32]([OH:35])=[CH:31][C:30]=1[C:36]([F:39])([F:38])[F:37].C([O-])([O-])=O.[K+].[K+]>CN1C(=O)CCC1>[Cl:28][C:29]1[CH:34]=[CH:33][C:32]([O:35][C:2]2[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][C:12]3[NH:13][CH:14]=[C:15]([CH2:19][C:20]4[CH:21]=[N:22][C:23]([O:26][CH3:27])=[N:24][CH:25]=4)[C:16](=[O:18])[N:17]=3)=[CH:6][C:3]=2[C:4]#[N:5])=[CH:31][C:30]=1[C:36]([F:37])([F:38])[F:39]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 11430Potassium CarbonateHCID 805204-Chloro-3-(trifluoromethyl)phenolHCID 1784941232-Fluoro-5-(2-(5-((2-methoxypyrimidin-5-yl)methyl)-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)benzonitrile

Product 1

HCID 178494126HCID 178494126, compoundYield 25.3%

Reagents, catalysts & solvents 1

HCID 13387
N-methyl-2-pyrrolidone
Solvent

Procedure

To a solution of 2-fluoro-5-[2-(5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)ethyl]benzonitrile (80 mg, 0.219 mmol) and 4-chloro-3-(trifluoromethyl)phenol (64.6 mg, 0.328 mmol) in NMP (2 mL), K2CO3 (60.5 mg, 0.438 mmol) was added. The reaction vessel was sealed and stirred at room temp for 10 min, and heated by microwave to 150° C. for 2 h. Purification via MDAP then afforded the title compound as a white solid (30 mg, 25.3% yield). LCMS: rt=3.19 min, [M+H+]=542

Workup

  1. customThe reaction vessel was sealed
  2. temperatureheated by microwave to 150° C. for 2 h
  3. customPurification via MDAP

Sources & evidence

ORD record
ord-57a2ee2ac77348a38e01853fc2c06010
Source dataset
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08637536B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes