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Dimethyl Sulfoxide → Tert-butyl (S)-4-benzyl-2-(2-oxoethyl)piperazine-1-carboxylate

HRID 1350393
Notes
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Reaction equation

HRID 1350393 reaction equation
C(Cl)(=O)C(Cl)=O.CS(C)=O.C(N(CC)CC)C.[C:18]([O:22][C:23]([N:25]1[CH2:30][CH2:29][N:28]([CH2:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[CH2:27][C@@H:26]1[CH2:38][CH2:39][OH:40])=[O:24])([CH3:21])([CH3:20])[CH3:19]>ClCCl>[C:18]([O:22][C:23]([N:25]1[CH2:30][CH2:29][N:28]([CH2:31][C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH2:27][C@@H:26]1[CH2:38][CH:39]=[O:40])=[O:24])([CH3:21])([CH3:20])[CH3:19]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 15406045(S)-4-Benzyl-2-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 86600664Tert-butyl (S)-4-benzyl-2-(2-oxoethyl)piperazine-1-carboxylateYield 50,249.602%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent2×

Conditions

Temperature
-78 °C

Procedure

Add dichloromethane (3 mL) to a 50 mL dry schlenk flask, followed by oxalyl chloride (0.178 g, 1.4 mmol) and cool the solution to −78° C. and treat with dimethyl sulfoxide (0.171 g, 2.2 mmol) and triethylamine (0.505 g, 5.0 mmol). After 10 min, add a solution of (S)-4-benzyl-2-(2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester (0.320 g, 1.0 mmol) in dichloromethane (5 mL) and stir the resulting mixture at −78° C. for 1 hour. Quench the reaction mixture by adding sat. NaHCO3, extract the aqueous solution with CH2Cl2, wash the organic solvent with brine, and dry over Na2SO4. Purification by silica gel chromatography of the crude product using MeOH/CH2Cl2 (5% to 10%) as eluent to give the title compound (160 g, 50%) as a light yellow oil: mass spectrum (Electrospray): m/z=319.2 (M+1); 1H NMR (400 MHz, CDCl3): δ9.74 (t, 1H, J=2.0 Hz), 7.33–7.21 (m, 5H), 4.57 (br, 1H), 3.88 (m, 2H), 33.52–3.40 (m, 21H), 3.15–3.05 (m, 1H), 2.83–2.66 (m, 4H), 2.22–2.18 (m, 1H), 2.03 (dt, 1H, J=3.4, 11.8 Hz), 1.44 (s, 9H).

Workup

  1. customdry schlenk flask
  2. customQuench the reaction mixture
  3. additionby adding sat. NaHCO3
  4. extractionextract the aqueous solution with CH2Cl2
  5. washwash the organic solvent with brine
  6. dry with materialdry over Na2SO4
  7. customPurification by silica gel chromatography of the crude product

Sources & evidence

ORD record
ord-1183eca1e04842d289e21c2eb70854a9
Source dataset
uspto-grants-2007_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07214673B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes