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Benzylamine → tert-Butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate

HRID 875079
Notes
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Reaction equation

HRID 875079 reaction equation
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=O)[C:10]([F:16])([F:15])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:17]([NH2:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[C@H](O)(C([O-])=O)[C@@H](O)C([O-])=O.[Na+].[K+]>ClCCl>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:24][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:10]([F:16])([F:15])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 7504BenzylamineHCID 9357Potassium Sodium TartrateHCID 5049666Sodium triacetoxyborohydrideHCID 56776981tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

Product 1

HCID 66710726tert-Butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylateYield 32.4%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

To a solution of 1-tert-butyloxycarbonyl-3, 3-difluoro-4-oxopiperidine (Synthonix, 0.100 g, 0.426 mmol, 1.0 eq) in dichloromethane (1.5 mL) was added benzylamine (0.070 mL, 0.638 mmol, 1.5 eq) followed by sodium triacetoxyborohydride (0.180 g, 0.851 mmol, 2.0 eq). The reaction was stirred at room temperature for 16 hours before adding Rochelle's salt (2 mL) and stirring for 1 hour. The reaction mixture was partitioned between NaHCO3 (50 mL) and CH2Cl2 (50 mL). The aqueous phase was extracted with CH2Cl2 (2×50 mL). The combined organics were washed with brine (50 mL), dried (Na2SO4) and concentrated under reduced pressure. MPLC (30→70% EtOAc-hexane) yielded the title compound (0.045 g, 32%) as a colourless oil; 1H nmr (CDCl3) δ 7.33 (4H, m, 4H of C6H5), 7.27 (1H, m, 1H of C6H5), 4.02 (1H, m), 3.92 (2H, s, CH2C6H5), 3.76 (1H, m), 3.32 (1H, ddd, J 21.5, 14.0, 4.5 Hz), 3.11 (1H, m), 2.97 (1H, m), 1.90 (1H, m), 1.67-1.59 (1H, m), 1.46 (9H, s, C(CH3)3); 19F nmr (CDCl3) δ −109.0 (dd, J 243.0, 115.5 Hz), −119.5 (d, J 251.0 Hz); m/z: 327 [M+H]+.

Workup

  1. stirringstirring for 1 hour
  2. customThe reaction mixture was partitioned between NaHCO3 (50 mL) and CH2Cl2 (50 mL)
  3. extractionThe aqueous phase was extracted with CH2Cl2 (2×50 mL)
  4. washThe combined organics were washed with brine (50 mL)
  5. dry with materialdried (Na2SO4)
  6. concentrationconcentrated under reduced pressure

Sources & evidence

ORD record
ord-bc68bb509bf048d89c062ff1f2a41cd4
Source dataset
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08980921B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes