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Sodium Carbonate → 3-(2-Chloropyrimidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

HRID 1842781
Notes
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Reaction equation

HRID 1842781 reaction equation
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[N:11][N:12]3[CH2:17][CH2:16][CH2:15][CH2:14][C:13]=23)O1.[Cl:19][C:20]1[N:25]=[C:24](Cl)[CH:23]=[CH:22][N:21]=1.C([O-])([O-])=O.[Na+].[Na+]>C(COC)OC.CC(P(C(C)(C)C)C1C=CC(N(C)C)=CC=1)(C)C.CC(P(C(C)(C)C)C1C=CC(N(C)C)=CC=1)(C)C.Cl[Pd]Cl>[Cl:19][C:20]1[N:25]=[C:24]([C:9]2[CH:10]=[N:11][N:12]3[CH2:17][CH2:16][CH2:15][CH2:14][C:13]=23)[CH:23]=[CH:22][N:21]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 10340Sodium CarbonateHCID 775312,4-DichloropyrimidineHCID 707011623-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine

Product 1

HCID 866773443-(2-Chloropyrimidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridineYield 93%

Reagents, catalysts & solvents 2

HCID 11714597
Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II)
Catalyst
HCID 80711,2-DimethoxyethaneSolvent

Conditions

Temperature
85 °C

Procedure

Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) (1.284 g, 1.81 mmol) was added in one portion to 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (9 g, 36.27 mmol), 2,4-dichloropyrimidine (5.40 g, 36.27 mmol) and 2M Na2CO3 solution (39.9 mL, 79.80 mmol) in dimethoxyethane (250 mL) under an atmosphere of N2. The resulting mixture was stirred at 85° C. for 4 h. and then allowed to cool to r.t. The mixture was then concentrated in vacuo and the residue was dissolved in CH2Cl2 (500 mL). This solution was washed with water (200 mL) and then sat. brine (200 mL). The organic solution was concentrated in vacuo. Purification by FCC, eluting with 0-10% CH3OH in CH2Cl2 gave the title compound (7.91 g, 93%) as a orange oil which solidified on standing; 1H NMR: 1.86 (2H, dt), 1.93-2.00 (2H, m), 3.11 (2H, t), 4.13 (2H, t), 7.68 (1H, d), 8.18 (1H, s), 8.57 (1H, d); m/z: ES+ MH+ 235.

Workup

  1. temperatureto cool to r.t
  2. concentrationThe mixture was then concentrated in vacuo
  3. dissolutionthe residue was dissolved in CH2Cl2 (500 mL)
  4. washThis solution was washed with water (200 mL)
  5. concentrationThe organic solution was concentrated in vacuo
  6. customPurification by FCC
  7. washeluting with 0-10% CH3OH in CH2Cl2

Sources & evidence

ORD record
ord-73e41aa60a884aee9b42aad7e73625ec
Source dataset
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08946235B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes