(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

Base Information

Chemical Name:(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one
CAS No.:246231-10-7
Molecular Formula:C₃₄H₄₆N₄O₃
Molecular Weight:558.764
Hs Code.:

(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

Synonyms:(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

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Chemical Property of (S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

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Technology Process of (S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

There total 15 articles about (S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

: (S)-1-(2-azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-azido-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

: 246231-10-7
(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

Guidance literature:: palladium-carbon; In methanol; ethanol;

Reference yield:

: 5845-15-8
2-azabicyclo-[2.2.2.]octane hydrochloride

: 246231-10-7
(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

Guidance literature:: Multi-step reaction with 5 steps

1: PyBOP; NEt₃ / CH₂Cl₂ / 4 h / 20 °C

2: 84 percent / DMAP; K₂CO₃ / CH₂Cl₂ / 5 h / 20 °C

3: 92 percent / H₂ / Pd(OH)2/C / ethanol; acetic acid / 72 h / 20 °C / 2585.74 Torr

4: Zn(N₃)2*2Py; PPh₃; imidazole / DEAD / CH₂Cl₂ / 15 h / 0 - 15 °C

5: H₂ / Pd(OH)2/C / ethanol / 15 h / 20 °C / 2585.74 Torr

With 1H-imidazole; dmap; zinc azide * 2 pyridine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; potassium carbonate; triethylamine; triphenylphosphine; palladium dihydroxide; diethylazodicarboxylate; In ethanol; dichloromethane; acetic acid;
DOI:10.1016/S0040-4039(01)01322-3

Reference yield:

: 120690-70-2
ethyl 2-methyl-2-(pyridin-3-yl)propionate

: 246231-10-7
(S)-1-(2-Azabicyclo[2.2.2]oct-2-yl)-2-[3-(2-amino-1-methylethyl)-2-(3,5-dimethylphenyl)-1H-1-(tert-butoxycarbonyl)-pyrrolo[2,3-b]-pyridin-5-yl]-2-methylpropan-1-one

Guidance literature:: Multi-step reaction with 14 steps

1: 92 percent / m-CPBA; NaHCO₃ / CHCl₃; H₂O / 12 h / 20 °C

2: 84 percent / 1,2-dichloro-ethane / 72 h / 82 °C

3: 88 percent / HCl / 8 h / 100 °C

4: 100 percent / H₂SO₄ / 15 h / 65 °C

5: 62 percent / I₂ / AgCO₂CF₃ / methanol / 15 h / 20 °C

6: 95 percent / LiCl; Na₂CO₃ / Pd(dppf)Cl₂*CH₂Cl₂ / dimethylformamide / 15 h / 100 °C

7: 84 percent / ICl; AgBF₄ / methanol; tetrahydrofuran / 1 h / 20 °C

8: 100 percent / Na₂CO₃ / Pd(dppf)Cl₂*CH₂Cl₂ / ethanol; toluene / 15 h / 85 °C

9: KOH / methanol / 65 °C

10: PyBOP; NEt₃ / CH₂Cl₂ / 4 h / 20 °C

11: 84 percent / DMAP; K₂CO₃ / CH₂Cl₂ / 5 h / 20 °C

12: 92 percent / H₂ / Pd(OH)2/C / ethanol; acetic acid / 72 h / 20 °C / 2585.74 Torr

13: Zn(N₃)2*2Py; PPh₃; imidazole / DEAD / CH₂Cl₂ / 15 h / 0 - 15 °C

14: H₂ / Pd(OH)2/C / ethanol / 15 h / 20 °C / 2585.74 Torr

With 1H-imidazole; dmap; potassium hydroxide; silver tetrafluoroborate; zinc azide * 2 pyridine; sulfuric acid; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; iodine; Iodine monochloride; sodium hydrogencarbonate; sodium carbonate; potassium carbonate; triethylamine; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; lithium chloride; hydrogenchloride; palladium dihydroxide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; silver trifluoroacetate; diethylazodicarboxylate; In tetrahydrofuran; methanol; ethanol; dichloromethane; chloroform; water; acetic acid; 1,2-dichloro-ethane; N,N-dimethyl-formamide; toluene; 8: Suzuki-Miayura cross-coupling;
DOI:10.1016/S0040-4039(01)01322-3