HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Phenylglyoxylic Acid → 2-Hydroxy-2-phenylbutanoic acid

HRID 1866124
Notes
Print preview

Reaction equation

HRID 1866124 reaction equation
[O:1]=[C:2]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[C:3]([OH:5])=[O:4].[CH2:12]([Mg]Br)[CH3:13]>O1CCCC1>[OH:1][C:2]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)([CH2:12][CH3:13])[C:3]([OH:5])=[O:4]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 11915Phenylglyoxylic AcidHCID 178418443HCID 178418443, compound

Product 1

HCID 2873222-Hydroxy-2-phenylbutanoic acid

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

A solution of 2-oxo-2-phenylacetic acid (10 g, 66.6 mmol) (Acros Organics B.V.B.A., Belgium) in tetrahydrofuran (THF, 200 mL) was treated at room temperature with ethylmagnesium bromide (2.5 M, 80 mL, 200 mmol). The reaction mixture was stirred for 5 h, partitioned between ethyl acetate and 1N—HCl. The organic layer was separated, dried (MgSO4) and concentrated in vacuo to afford 2-hydroxy-2-phenylbutanoic acid. A solution of 2-hydroxy-2-phenylbutanoic acid (100 mg, 0.55 mmol) and diisopropylethylamine (188 uL, 1.11 mmol) in N,N-dimethylformamide (2 mL) was treated at room temperature with benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate (PyBop, 290 mg, 0.55 mmol). After 15 min, (3-fluoro-5-(trifluoromethyl)phenyl)methanamine (107 mg, 0.55 mmol) was added. The reaction mixture was stirred for 3 h, partitioned between dichloromethane and 0.5N—NaOH. The aqueous layer was removed and the organic layer was washed with 0.5N—HCl. The aqueous layer was removed by filtering through a plastic fit. The organic layer was evaporated in vacuo to give the racemic mixture of the amide which was resolved using the chiral column (CiralPak AD) to give the desired product (2-1); HRMS (M+H−H2O)=338.1167; 1H NMR (500 MHz, CDCl3) δ 7.59 (d, 1H, J=7.5 Hz), 7.51 (m, 1H), 7.42 (d, 1H, J=5.0 Hz), 7.37 (t, 1H, J=7.5 Hz), 7.32 (d, 1H, J=7.0 Hz), 7.13 (t, 1H, J=9.0 Hz), 7.01 (bs, 1H), 4.52 (dq, 2H, J=15.6, 6.4 Hz), 2.83 (s, 1H), 2.36 (m, 1H), 2.12 (m, 1H), 0.94 (t, 3H, J=7.2 Hz).

Workup

  1. custompartitioned between ethyl acetate and 1N—HCl
  2. customThe organic layer was separated
  3. dry with materialdried (MgSO4)
  4. concentrationconcentrated in vacuo

Sources & evidence

ORD record
ord-dd52da8147744f439b9a820700609cff
Source dataset
uspto-grants-2009_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07629367B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes