StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Hexachloroethane → 3,5-Dimethyl-4-[8-(2,3,4-trifluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

HRID 451575
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 451575
[F:1][C:2]1[C:7]([F:8])=[C:6]([F:9])[CH:5]=[CH:4][C:3]=1[C:10]1[C:11]2[N:12]([N:16]=[C:17]([NH2:19])[N:18]=2)[CH:13]=[CH:14][CH:15]=1.ClC(Cl)(Cl)C(Cl)(Cl)Cl.C(N(CC)CC)C.CP(C)C.[CH3:39][C@H:40]1[C:45](=O)[C@@H:44]([CH3:47])[CH2:43][N:42]([C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])[CH2:41]1.[B][B][B][B][B][B][B][B][B][B]>C1COCC1.CO.O>[C:51]([O:50][C:48]([N:42]1[CH2:43][CH:44]([CH3:47])[CH:45]([NH:19][C:17]2[N:18]=[C:11]3[C:10]([C:3]4[CH:4]=[CH:5][C:6]([F:9])=[C:7]([F:8])[C:2]=4[F:1])=[CH:15][CH:14]=[CH:13][N:12]3[N:16]=2)[CH:40]([CH3:39])[CH2:41]1)=[O:49])([CH3:54])([CH3:52])[CH3:53]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

10

Edukt 6

HCID 6214HexachloroethaneHCID 8471TriethylamineHCID 68983TrimethylphosphineHCID 59131037tert-butyl (3R,5S)-3,5-dimethyl-4-oxopiperidine-1-carboxylateHCID 67341554HCID 67341554, VerbindungHCID 178419135HCID 178419135, Verbindung2×

Produkt 1

HCID 673432723,5-Dimethyl-4-[8-(2,3,4-trifluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl esterAusbeute 39 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 887MethanolLösungsmittel2×HCID 962WaterLösungsmittelHCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a solution of 8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (prepared in analogy to example 66a-c) (300 mg, 1.14 mmol) and hexachloroethane (296 mg, 1.25 mmol) in dry THF (8 mL) was added triethylamine (287 mg, 396 μL, 2.84 mmol) under an argon atmosphere followed by trimethylphosphine (1 M in THF, 1.25 mL, 1.25 mmol). The reaction mixture was stirred at room temperature for 45 minutes, then (3R,5S)-tert-butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate (315 mg, 1.25 mmol) added and the mixture heated to 150° C. in the microwave for 3 hours. A solution of decaborane (139 mg, 148 μL, 1.14 mmol) in MeOH (3 mL) was added to the reaction mixture and stirred at 50° C. for 2 hours. Further decaborane (139 mg, 148 μl, 1.14 mmol) in MeOH (3 mL) was added and stirred at 50° C. for another 2 hours. The reaction mixture was poured in water and extracted with dichloromethane. The organic layers were combined, dried over Na2SO4 and evaporated. The residue was purified by flash-chromatography over 70 g SiO2-flash pack using gradient 0-100% EtOAc in heptane over 35 minutes to give the title compound as off-white foam (208 mg, 39%) as a mixture of cis- and trans-isomers. MS ISP (m/e): 476.2/420.2/376.3 (13/40/62) [(M+H)+/(M−tBu)+/(M−Boc)+].

Aufarbeitung

  1. temperaturethe mixture heated to 150° C. in the microwave for 3 hours
  2. stirringstirred at 50° C. for 2 hours
  3. stirringstirred at 50° C. for another 2 hours
  4. extractionextracted with dichloromethane
  5. dry with materialdried over Na2SO4
  6. customevaporated
  7. customThe residue was purified by flash-chromatography over 70 g SiO2-flash pack
  8. customover 35 minutes

Quellen und Nachweise

ORD-Eintrag
ord-1ff6306fd6d649d7886eea12e0b90dc8
Quelldatensatz
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08486967B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion