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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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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
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HRID 451575 반응식
[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]
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참가 물질

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반응물 6

HCID 6214HexachloroethaneHCID 8471TriethylamineHCID 68983TrimethylphosphineHCID 59131037tert-butyl (3R,5S)-3,5-dimethyl-4-oxopiperidine-1-carboxylateHCID 67341554HCID 67341554, 화합물HCID 178419135HCID 178419135, 화합물2회

생성물 1

HCID 67343272
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
수율 39%

시약·촉매·용매 3

HCID 887Methanol용매2회HCID 962Water용매HCID 8028Tetrahydrofuran용매

실험 절차

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)+].

후처리

  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

출처 및 근거

ORD 기록
ord-1ff6306fd6d649d7886eea12e0b90dc8
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08486967B2

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