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Hydrochloric Acid → 4-Dibenzylamino-2,5-dimethylbenzaldehyde hydrochloride

HRID 2246511
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HRID 2246511 반응식
[CH2:1]([N:8]([CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[C:9]1[CH:14]=[C:13]([CH3:15])[C:12](I)=[CH:11][C:10]=1[CH3:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([Li])CCC.CN(C)[CH:32]=[O:33].[ClH:35]>C1(C)C=CC=CC=1>[ClH:35].[CH2:1]([N:8]([CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[C:9]1[C:10]([CH3:17])=[CH:11][C:12]([CH:32]=[O:33])=[C:13]([CH3:15])[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
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참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 57461072Dibenzyl-(4-iodo-2,5-dimethylphenyl)amineHCID 178418339Butyllithium

생성물 1

HCID 574610734-Dibenzylamino-2,5-dimethylbenzaldehyde hydrochloride수율 90%

시약·촉매·용매 1

HCID 1140
Toluene
용매

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온도
-20 °C

실험 절차

To a 1-liter 3-necked round-bottomed flask equipped with an overhead stirrer, temperature control and an addition funnel was added dibenzyl-(4-iodo-2,5-dimethylphenyl)amine (15 g, 35 mmol). Toluene (300 mL) was added and the resulting mixture was stirred for about 15 minutes. The reaction flask was purged with dry nitrogen and cooled to about −20° C. and 1.6 M n-butyllithium in hexanes (33 mL, 53 mmol) was added dropwise via the addition funnel. During the addition, the internal temperature of the reaction mixture was maintained below −10° C. When the addition was complete, the resulting mixture was stirred at about −15° C. for 15 minutes. N,N-Dimethylformamide (10 mL, 129 mmol) was then added dropwise while maintaining the internal reaction temperature below 0° C. The resulting mixture was then stirred at −20° C. to 0° C. for about 1 hour. Aqueous 1 M hydrochloric acid (200 mL) was then added over a 5 minute period and the resulting mixture was stirred for 15 minutes. The layers were then separated and the organic layer was washed with dilute brine (100 mL). The organic layer was then dried over anhydrous sodium sulfate, filtered and the solvent removed under reduced pressure to provide 4-dibenzylamino-2,5-dimethylbenzaldehyde hydrochloride (11.5 g, 90% yield, 95% purity) as thick oil that solidified upon standing. The product contained about 3 to 5% of the des-iodo by-product. 1H NMR (300 MHz, CDCl3) δ 2.42 (s, 3H), 2.50 (s, 3H), 4.25 (s, 4H), 6.82 (s, 1H), 7.10-7.30 (m, 10H), 7.62 (s, 1H), 10.15 (s, 1H); MS [M+H+] found 330.3.

후처리

  1. customTo a 1-liter 3-necked round-bottomed flask equipped with an overhead stirrer
  2. customThe reaction flask was purged with dry nitrogen
  3. additionDuring the addition
  4. temperaturethe internal temperature of the reaction mixture was maintained below −10° C
  5. additionWhen the addition
  6. stirringthe resulting mixture was stirred at about −15° C. for 15 minutes
  7. temperaturewhile maintaining the internal reaction temperature below 0° C
  8. stirringThe resulting mixture was then stirred at −20° C. to 0° C. for about 1 hour
  9. stirringthe resulting mixture was stirred for 15 minutes
  10. customThe layers were then separated
  11. washthe organic layer was washed with dilute brine (100 mL)
  12. dry with materialThe organic layer was then dried over anhydrous sodium sulfate
  13. filtrationfiltered
  14. customthe solvent removed under reduced pressure

출처 및 근거

ORD 기록
ord-760326ca43f9416e869b8817d6f6f7de
출처 데이터셋
uspto-grants-2010_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07687521B2

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