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Triethylamine → Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate

HRID 2041781
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HRID 2041781 반응식
[CH3:1][O:2][C:3](=[O:26])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]([C:20](=[O:22])[CH3:21])[C@@H:15]([CH3:23])[CH2:14][C@H:13]3[NH2:24])=[C:6]([CH3:25])[CH:5]=1.C(N(CC)CC)C.[N:34]1[CH:39]=[CH:38][CH:37]=[C:36](B(O)O)[CH:35]=1.B(O)O.O.N>ClCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[NH3:16].[C:20]([N:16]1[C:17]2[C:12](=[CH:11][C:10]([C:7]3[CH:8]=[CH:9][C:4]([C:3]([O:2][CH3:1])=[O:26])=[CH:5][C:6]=3[CH3:25])=[CH:19][CH:18]=2)[C@H:13]([NH:24][C:36]2[CH:35]=[N:34][CH:39]=[CH:38][CH:37]=2)[CH2:14][C@@H:15]1[CH3:23])(=[O:22])[CH3:21]
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참가 물질

9

반응물 5

HCID 8471TriethylamineHCID 61668Boronic AcidHCID 27343783-Pyridinylboronic acid2회HCID 12896473Azane;hydrateHCID 67206975Methyl-4-[(2S,4R)-1-acetyl-4-amino-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate

생성물 2

HCID 222Ammonia
HCID 67206073
Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate
수율 50%

시약·촉매·용매 2

HCID 8895Cupric acetate촉매HCID 6344Dichloromethane용매2회

실험 절차

Methyl-4-[(2S,4R)-1-acetyl-4-amino-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate (for a preparation see Intermediate 96) (40 mg, 0.113 mmol) was dissolved in dichloromethane (DCM) (1.5 mL) and treated with copper(II) acetate (30.9 mg, 0.170 mmol) and triethylamine (0.047 mL, 0.340 mmol) The resulting mixture was stirred at room temperature for a few minutes then pyridine-3-boronic acid (41.9 mg, 0.340 mmol) was added. After 5 h, further boronic acid (3.5 mg, 0.028 mmol, 0.25 eq) was added and the mixture stirred at room temperature. The stirring was continued for 7 days with 10 additions of pyridine-3-boronic acid (41.9 mg, 0.340 mmol) at regular intervals (except on day 4 and day 5). The reaction mixture was then treated with a 3:1 water/ammonia 0.88 (1 mL), then was stirred for 10 min before being diluted with DCM (20 mL). The layers were separated and the organic phase was washed with a saturated NaHCO3 aqueous solution. The combined aqueous phases were extracted with DCM (20 mL). The combined organic phases were dried using a hydrophobic frit and then concentrated in vacuo. Purification of the residue on SP4 using a 10 G silica cartridge (gradient:50 to 100% AcOEt in Hexanes then 0 to 10% (2M NH3 in MeOH) in DCM) gave Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate (25 mg, 50%) as a yellow oil.

후처리

  1. stirringthe mixture stirred at room temperature
  2. stirringwas stirred for 10 min
  3. customThe layers were separated
  4. washthe organic phase was washed with a saturated NaHCO3 aqueous solution
  5. extractionThe combined aqueous phases were extracted with DCM (20 mL)
  6. customThe combined organic phases were dried
  7. concentrationconcentrated in vacuo
  8. customPurification of the residue on SP4

출처 및 근거

ORD 기록
ord-53594c3755a64beba313157404ce8ecb
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08580957B2

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