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Thionyl Chloride → HCID 19698661, compound

HRID 862732
Notes
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Reaction equation

HRID 862732 reaction equation
[CH:1]1[C:14]2[C:13]3([C:16](O)=[O:17])[CH2:15][CH:6]([C:7]4[C:12]3=[CH:11][CH:10]=[CH:9][CH:8]=4)[C:5]=2[CH:4]=[CH:3][CH:2]=1.S(Cl)(Cl)=O.[NH:23]1[CH2:33][CH2:32][CH:26]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:25][CH2:24]1>C1(C)C=CC=CC=1.CN(C)C=O>[CH:11]1[C:12]2[C:13]3([C:16]([N:23]4[CH2:24][CH2:25][CH:26]([C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:32][CH2:33]4)=[O:17])[CH2:15][CH:6]([C:5]4[C:14]3=[CH:1][CH:2]=[CH:3][CH:4]=4)[C:7]=2[CH:8]=[CH:9][CH:10]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 24386Thionyl ChlorideHCID 70770Ethyl 4-piperidinecarboxylateHCID 125071199,10-Dihydro-9,10-methano-9-anthracenecarboxylic acid

Product 1

HCID 19698661HCID 19698661, compoundYield 92.2%

Reagents, catalysts & solvents 2

HCID 6228DimethylformamideCatalyst
HCID 1140
Toluene
Solvent
2×

Procedure

A solution of 9,10-dihydro-9,10-methano-9-anthracenecarboxylic acid (21.8 g, 92.4 mmol) in toluene (160 mL) was treated with thionyl chloride (11.7 g, 99 mmol) and N,N-dimethylformamide (0.1 g). The resulting solution was heated to reflux temperature for 2 h, then was cooled to room temperature. The mixture was then treated dropwise with a solution of ethyl isonipecotate (31.1 g, 198 mmol) in toluene (20 mL), using an ice/water bath to keep the reaction temperature <35° C. Upon complete addition, the mixture was stirred for 1 h at room temperature, then was washed sequentially with 10% hydrochloric acid (40 mL), water (40 mL), 1N aqueous sodium hydroxide (40 mL), water (40 mL) and brine (40 mL). The aqueous washes were extracted with toluene (100 mL). The organic extracts were combined, dried (MgSO4), filtered and concentrated to afford the title compound (33.0 g, 85.2 mmol, 92%) as an off-white solid. 1H NMR (d6-DMSO): δ7.33-7.14 (m, 4H), 6.99 (m, 4H), 4.54 (br, 1H), 4.38 (s, 1H, H--C(10)), 4.09 (q, J=6.5 Hz, 2H, CH2CH3), 3.8 (br, 1H), 3.0-2.5 (br, 6H), 2.05-1.45 (br, 5H), 1.19 (t, J=6.5 Hz, 3H, CH2CH3).

Workup

  1. temperatureThe resulting solution was heated
  2. temperatureto reflux temperature for 2 h
  3. customthe reaction temperature <35° C
  4. additionUpon complete addition
  5. washwas washed sequentially with 10% hydrochloric acid (40 mL), water (40 mL), 1N aqueous sodium hydroxide (40 mL), water (40 mL) and brine (40 mL)
  6. extractionThe aqueous washes were extracted with toluene (100 mL)
  7. dry with materialdried (MgSO4)
  8. filtrationfiltered
  9. concentrationconcentrated

Sources & evidence

ORD record
ord-c12cc8f8bbf54eb9a2f35587b1d0280c
Source dataset
uspto-grants-1998_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05719166

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes