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

Guanidine Hydrochloride → 5-(4-Ethoxy-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine

HRID 48455
Notes
Print preview

Reaction equation

HRID 48455 reaction equation
[CH2:1]([O:3][C:4]1[CH:12]=[C:11]([CH2:13][C:14]2[C:15]([NH2:21])=[N:16][C:17]([NH2:20])=[N:18][CH:19]=2)[CH:10]=[C:9]2[C:5]=1[CH:6]=[CH:7][N:8]2COCC[Si](C)(C)C)[CH3:2].CC([O-])(C)C.[K+].C(OC1C=C(C=O)C=C2C=1C=CN2COCC[Si](C)(C)C)C.N(CCC#N)C1C=CC=CC=1.Cl.NC(N)=N>C(O)(C)(C)C.CS(C)=O.C(O)C.O>[CH2:1]([O:3][C:4]1[CH:12]=[C:11]([CH2:13][C:14]2[C:15]([NH2:21])=[N:16][C:17]([NH2:20])=[N:18][CH:19]=2)[CH:10]=[C:9]2[C:5]=1[CH:6]=[CH:7][NH:8]2)[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

10

Reactant 5

HCID 5742Guanidine HydrochlorideHCID 141003-AnilinopropionitrileHCID 227429264-ethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole-6-carbaldehydeHCID 23665647Potassium tert-butoxide2×HCID 699205545-[4-Ethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indol-6-ylmethyl]-pyrimidine-2,4-diamine

Product 1

HCID 22742919
5-(4-Ethoxy-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine
Yield 62%

Reagents, catalysts & solvents 4

HCID 679Dimethyl SulfoxideSolventHCID 702EthanolSolventHCID 962WaterSolventHCID 6386tert-ButanolSolvent

Procedure

5-[4-Ethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indol-6-ylmethyl]-pyrimidine-2,4-diamine. A warm solution of potassium tert-butylate (900 mg, 8.02 mmol) in tert-butanol (7.5 mL) was added at room temperature to a solution of 4-ethoxy-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole-6-carbaldehyde (2.14 g, 6.69 mmol) and 3-anilinopropionitrile (1.08 g, 7.36 mmol) in methyl sulfoxide (25 mL). After 90 min the solution was treated with water and the suspension formed was stirred for 2 h. The precipitate was collected by filtration and dried. This material was added to a suspension of guanidine hydrochloride (1.90 g, 19.9 mmol) and potassium tert-butylate (2.23 g, 19.9 mmol) in ethanol (100 mL), and the reaction mixture was refluxed for 16 h, then most of the solvent was distilled off, and ether (50 mL) was added. Insoluble material was removed by filtration, the filtrate was washed with water, dried (MgSO4), and evaporated. The residue was washed with diethyl ether/n-hexane 4:3 (70 mL) to afford the title compound (1.71 g, 62%). Light brown solid.

Workup

  1. customthe suspension formed
  2. filtrationThe precipitate was collected by filtration
  3. customdried
  4. temperaturethe reaction mixture was refluxed for 16 h
  5. distillationmost of the solvent was distilled off
  6. additionether (50 mL) was added
  7. customInsoluble material was removed by filtration
  8. washthe filtrate was washed with water
  9. dry with materialdried (MgSO4)
  10. customevaporated
  11. washThe residue was washed with diethyl ether/n-hexane 4:3 (70 mL)

Sources & evidence

ORD record
ord-9540ad39a2414b7abb810eca8ddaf9f3
Source dataset
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06703397B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes