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Water → Indoline-3-carboxylic acid

HRID 1174515
Notes
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Reaction equation

HRID 1174515 reaction equation
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([C:10]([OH:12])=[O:11])=[CH:2]1.[Na].O>C(O)CCC>[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]([C:10]([OH:12])=[O:11])[CH2:2]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 962WaterHCID 69867Indole-3-Carboxylic AcidHCID 5360545Sodium

Product 1

HCID 19697631Indoline-3-carboxylic acidYield 86%

Reagents, catalysts & solvents 1

HCID 2631-ButanolSolvent

Procedure

A stirred suspension of 1H-indole-3-carboxylic acid (20.8 g, 0.129 mol) in 1-butanol (600 cm3) under nitrogen was heated under gentle reflux. Sodium (39.3 g, 1.71 mol) was added in small pieces over 3.5 h. After heating under reflux for a further 1.25 h the mixture was cooled and water (250 cm3) was added carefully. The resulting mixture was concentrated almost to dryness and the residue was acidified by the careful addition of 2M hydrochloric acid (900 cm3) with cooling. The aqueous mixture was washed with dichloromethane (2×300 cm3) and then was neutralised by the addition of 5%, aqueous sodium bicarbonate solution (ca. 450 cm3). The solution was evaporated to dryness under reduced pressure and the solid residue was triturated with dichloromethane-methanol (9:1, 400 cm3 then 3×200 cm3) to dissolve the product. The sodium chloride was filtered off and the filtrate was evaporated to afford a gum (18.1 g), which was dissolved in dichloromethane-methanol (9:1, 200 cm3). This mixture was evaporated to low volume before diethyl ether was added, then the solvent was evaporated to leave a froth. This was triturated with diethyl ether (150 cm3), filtered off and dried at 30° C. under vacuum to give the title compound (15.9 g, 76%): positive ion ESI (M+H)+ 164.5.

Workup

  1. temperaturewas heated under gentle reflux
  2. temperatureAfter heating
  3. temperatureunder reflux for a further 1.25 h the mixture
  4. temperaturewas cooled
  5. concentrationThe resulting mixture was concentrated almost to dryness
  6. additionthe residue was acidified by the careful addition of 2M hydrochloric acid (900 cm3)
  7. temperaturewith cooling
  8. washThe aqueous mixture was washed with dichloromethane (2×300 cm3)
  9. additionwas neutralised by the addition of 5%, aqueous sodium bicarbonate solution (ca. 450 cm3)
  10. customThe solution was evaporated to dryness under reduced pressure
  11. customthe solid residue was triturated with dichloromethane-methanol (9:1, 400 cm3
  12. dissolution3×200 cm3) to dissolve the product
  13. filtrationThe sodium chloride was filtered off
  14. customthe filtrate was evaporated

Sources & evidence

ORD record
ord-1863898d18624e73a7ea68d60017897d
Source dataset
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07838518B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes