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Dimethylformamide → HCID 57971674, compound

HRID 1009972
Notes
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Reaction equation

HRID 1009972 reaction equation
[OH:1][CH2:2][C:3]1[CH:4]=[CH:5][C:6]2[CH:10]=[C:9]([C:11]([OH:13])=O)[S:8][C:7]=2[CH:14]=1.C1CN([P+](Br)(N2[CH2:30][CH2:29][CH2:28]C2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.C(O[CH2:44][CH2:45][O:46][NH2:47])C(C)C.CCN(C(C)C)C(C)C.CN([CH:60]=[O:61])C>O.CCOC(C)=O>[CH2:60]([O:61][CH:45]([O:46][NH:47][C:11]([C:9]1[S:8][C:7]2[CH:14]=[C:3]([CH2:2][OH:1])[CH:4]=[CH:5][C:6]=2[CH:10]=1)=[O:13])[CH3:44])[CH:29]([CH3:28])[CH3:30]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2733179PyBroPHCID 13540122HCID 13540122, compoundHCID 21114236HCID 21114236, compound

Product 1

HCID 57971674HCID 57971674, compoundYield 67%

Reagents, catalysts & solvents

2
HCID 962WaterSolventHCID 8857Ethyl AcetateSolvent

Procedure

To a solution of 6-hydroxymethyl-benzo[b]thiophene-2-carboxylic acid (1.76 g, 8.4 mmol, 1 eq) in DMF was added PyBrOP (4.3 g, 9.2 mmol), O-(isobutoxy-ethyl)-hydroxylamine (11.5 mL, 84.0 mmol) (prepared via procedure in WO0160785) and DIPEA (2.9 mL, 16.7 mmol). The reaction mixture was allowed to stir at r.t. for 2 h then diluted with water (40 mL) and EtOAc (40 mL). The organic layer was isolated, washed with brine (50 mL) and concentrated. The residue was purified by chromatography on silica gel eluting with EtOAc/heptane (1:1) to afford the title compound (1.8 g, 67% over 2 steps). LCMS m/z 322 [M+−H]+, 1H NMR (300 MHz, MeOD), δ: 0.83 (6H, d J=6.6 Hz, 2×CH3), 1.32 (3H, d J=5.9 Hz, CH3), 1.75 (1H, m, CH), 3.38 (2H, m, CH2), 4.63 (2H, s, CH2), 4.95 (1H, m, CH), 7.32 (1H, d J=8.2 Hz, ArH), 7.77 (3H, m, ArH).

Workup

  1. customThe organic layer was isolated
  2. washwashed with brine (50 mL)
  3. concentrationconcentrated
  4. customThe residue was purified by chromatography on silica gel eluting with EtOAc/heptane (1:1)

Sources & evidence

ORD record
ord-b6d57bfdf4cd4ef4a5b8a2eb6e73c8f2
Source dataset
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07973181B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes