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Hexane → HCID 58688327, compound

HRID 2197570
Notes
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Reaction equation

HRID 2197570 reaction equation
Br[C:2]1[S:6][C:5]([CH2:7][CH:8]([CH3:10])[CH3:9])=[N:4][CH:3]=1.C([Li])CCC.CCCCCC.C(O[B:26]1[O:30][C:29]([CH3:32])([CH3:31])[C:28]([CH3:34])([CH3:33])[O:27]1)(C)C>C1COCC1>[CH2:7]([C:5]1[S:6][C:2]([B:26]2[O:30][C:29]([CH3:32])([CH3:31])[C:28]([CH3:34])([CH3:33])[O:27]2)=[CH:3][N:4]=1)[CH:8]([CH3:10])[CH3:9]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 8058HexaneHCID 50177412-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 206967745-Bromo-2-isobutyl-1,3-thiazoleHCID 178418339Butyllithium

Product 1

HCID 58688327HCID 58688327, compoundYield 18%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent

Conditions

Temperature
-78 °C

Procedure

To a solution of 5-bromo-2-isobutylthiazole (2.10 g, 9.54 mmol) in THF (20 mL) was added 1.6 M n-butyllithium in hexane solution (7.15 mL, 11.44 mmol) dropwise over 45 minutes at −78° C. The resulting solution was stirred at −78° C. for 10 minutes. Then the 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (2.13 g, 11.44 mmol) was added to the above solution and stirred at −78° C. for 1.5 hours. The reaction was quenched with 1:1 saturated ammonium chloride and water and warmed up to close to room temperature. The resulting mixture was extracted with ethyl acetate, washed with water, brine and concentrated. The residue was subjected to flash column chromatography using 30% ethyl acetate/hexane to give a yellow oil (454 mg, 18% yield). 1H NMR, 400 MHz, CDCl3: δ 8.13 (s, 1 H), 2.95 (d, J=7.1 Hz, 2 H), 2.10-2.19 (m, 1 H), 1.36 (s, 12 H), 1.00 (d, J=6.6 Hz, 6 H).

Workup

  1. stirringstirred at −78° C. for 1.5 hours
  2. customThe reaction was quenched with 1:1 saturated ammonium chloride and water
  3. temperaturewarmed up
  4. customto close to room temperature
  5. extractionThe resulting mixture was extracted with ethyl acetate
  6. washwashed with water, brine
  7. concentrationconcentrated

Sources & evidence

ORD record
ord-6d724b070d6f44eca0e5b4bca68c5b79
Source dataset
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08338604B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes