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2,6-Lutidine → HCID 178527045, compound

HRID 1993119
Notes
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Reaction equation

HRID 1993119 reaction equation
[O-]S(C(F)(F)F)(=O)=O.[CH2:9]([O:11][P:12](C(C)(C)CN)(=[O:16])[O:13][CH2:14][CH3:15])[CH3:10].N1[C:27]([CH3:28])=[CH:26][CH:25]=[CH:24]C=1C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(Cl)Cl.C(OCC)(=O)C>[PH:12](=[O:16])([O:11][CH2:9][C:10]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)[O:13][CH2:14][C:15]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 79372,6-LutidineHCID 10796Cesium carbonateHCID 2758875TrifluoromethanesulfonateHCID 58928684Dietyl(2-amino-1,1-dimethyl-ethyl)phosphonate

Product 1

HCID 178527045HCID 178527045, compound

Reagents, catalysts & solvents 2

HCID 6344
Dichloromethane
Solvent
2×
HCID 8857Ethyl AcetateSolvent

Procedure

To a solution of triflate 9 (94 mg, 0.214 mmol) in CH2Cl2 (2 mL) was added a solution of aniline 6 (100 mg, 0.173 mmol) in CH2Cl2 (2 mL) at −40° C., followed by 2,6-lutidine (0.026 mL). The mixture was warmed up to room temperature and stirred for 1 h. Cesium carbonate (60 mg) was added and the reaction mixture was stirred for additional 1 h. The mixture was diluted with ethyl acetate, washed with HCl (0.2N), dried over MgSO4, filtered and concentrated under reduced pressure. The residue was purified by HPLC to afford dibenzyl phosphonate (40 mg). To a solution of this dibenzyl phosphonate in ethanol (3 mL) and ethyl acetate (1 mL) was added 10% Pd/C (40 mg). The mixture was stirred under hydrogen atmosphere (balloon) for 4 h. The reaction mixture was diluted with methanol, filtered and concentrated under reduced pressure. The residue was washed with ethyl acetate and dried to give desired product diacid 10 (20 mg). 1H NMR (CD3OD) δ 7.8 (d, 2H), 7.3 (d, 2H), 7.1 (2d, 4H), 5.6 (d, 1H), 4.9 (m, 2H), 3.4-4.0 (m, 6H), 3.9 (s, 3H), 2.53.2 (m, 9H), 2.0 (m, 2), 1.4-1.7 (m, 2H), 0.9 (2d, 6H); 31P NMR (CD3OD) δ 22.1; MS (ESI): 686 (M+H).

Workup

  1. stirringthe reaction mixture was stirred for additional 1 h
  2. washwashed with HCl (0.2N)
  3. dry with materialdried over MgSO4
  4. filtrationfiltered
  5. concentrationconcentrated under reduced pressure
  6. customThe residue was purified by HPLC

Sources & evidence

ORD record
ord-5322b08220cd48c082bbe4f2067177f5
Source dataset
uspto-grants-2010_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07649015B2

Reaction notes

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