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Diisopropylamine → (5-Chloroindol-3-yl)methyl-2-dimethylamino-2-oxazolin-4-one

HRID 2227522
Notes
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Reaction equation

HRID 2227522 reaction equation
C(NC(C)C)(C)C.C([Li])CCC.[CH3:13][N:14]([CH3:21])[C:15]1[O:16][CH2:17][C:18](=[O:20])[N:19]=1.C(OC([N:32]1[C:40]2[C:35](=[CH:36][C:37]([Cl:41])=[CH:38][CH:39]=2)[C:34]([CH2:42]Cl)=[CH:33]1)=O)C1C=CC=CC=1>O1CCCC1.CCCCCC.O>[Cl:41][C:37]1[CH:36]=[C:35]2[C:40](=[CH:39][CH:38]=1)[NH:32][CH:33]=[C:34]2[CH2:42][CH:17]1[O:16][C:15]([N:14]([CH3:21])[CH3:13])=[N:19][C:18]1=[O:20]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 7912DiisopropylamineHCID 137110962-(Dimethylamino)-1,3-oxazol-4(5H)-oneHCID 184739631-Benzyloxycarbonyl-5-chloro-3-chloromethylindoleHCID 178418339Butyllithium

Product 1

HCID 70155188(5-Chloroindol-3-yl)methyl-2-dimethylamino-2-oxazolin-4-oneYield 19%

Reagents, catalysts & solvents 3

HCID 962WaterSolvent
HCID 8028TetrahydrofuranSolvent
HCID 8058HexaneSolvent

Conditions

Temperature
-78 °C

Procedure

To a solution of diisopropylamine (1.18 ml) in tetrahydrofuran (24 ml) was added a 1.6 M solution (5.24 ml) of n-butyllithium in hexane under ice cooling. The mixture was cooled to −78° C., to which was added 2-dimethylamino-2-oxazolin-4-one (1.07 g). The mixture was stirred for 30 minutes at room temperature and cooled again to −78° C. 1-benzyloxycarbonyl-5-chloro-3-chloromethylindol (1.40 g) was added. The whole was stirred at −78° C. to −40° C. for 30 minutes, at 0° C. for 2 hours and at room temperature for 40 minutes respectively. To the reaction mixture was added water and the whole was extracted with ethyl acetate. The extract was dried over magnesium sulfate and concentrated to give a residue, which was subjected to silica gel chromatography. Elution with hexane-ethyl acetate (1:1) gave 5-[(5-chloroindol-3-yl)methyl-2-dimethylamino-2-oxazolin-4-one (232 mg) as a crystal.

Workup

  1. temperaturecooled again to −78° C
  2. stirringThe whole was stirred at −78° C. to −40° C. for 30 minutes, at 0° C. for 2 hours and at room temperature for 40 minutes respectively
  3. extractionthe whole was extracted with ethyl acetate
  4. dry with materialThe extract was dried over magnesium sulfate
  5. concentrationconcentrated
  6. customto give a residue, which
  7. washElution with hexane-ethyl acetate (1:1)

Sources & evidence

ORD record
ord-ad792d3f718c4c74861ae04265556ee5
Source dataset
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06414003B1

Reaction notes

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