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Triethylamine → 4-[3-(4-Dimethylamino-benzyl)-ureido]-butyric acid benzyl ester

HRID 404197
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HRID 404197 반응식
C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:12]([O:19][C:20](=[O:25])[CH2:21][CH2:22][CH2:23][NH2:24])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.ClC(Cl)(O[C:30](=[O:36])OC(Cl)(Cl)Cl)Cl.C(N(CC)CC)C.Cl.Cl.[CH3:47][N:48]([CH3:57])[C:49]1[CH:56]=[CH:55][C:52]([CH2:53][NH2:54])=[CH:51][CH:50]=1>ClCCl.[Cl-].[Na+].O>[CH2:12]([O:19][C:20](=[O:25])[CH2:21][CH2:22][CH2:23][NH:24][C:30]([NH:54][CH2:53][C:52]1[CH:55]=[CH:56][C:49]([N:48]([CH3:57])[CH3:47])=[CH:50][CH:51]=1)=[O:36])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8471Triethylamine2회HCID 94429TriphosgeneHCID 27346334-(aminomethyl)-N,N-dimethylaniline dihydrochlorideHCID 200718004-Methylbenzene-1-sulfonic acid; benzyl 4-aminobutanoate

생성물 1

HCID 670068264-[3-(4-Dimethylamino-benzyl)-ureido]-butyric acid benzyl ester수율 278.4%

시약·촉매·용매 2

HCID 6344Dichloromethane용매
HCID 57417360Sodium chloride; water용매

실험 절차

To a vigorous stirred suspension of 4-amino-butyric acid benzyl ester toluene-4-sulfonic acid (0330 g, 2.00 mmol) and triphosgene (0.200 g, 0.667 mmol) in dichloromethane (40 mL) at −78° C. under nitrogen atmosphere, was added triethylamine (1.0 mL, 7.188 mmol, in 10 mL dichloromethane) dropwise via an additional funnel over a period of 2 hours. The cooling bath was removed and the resulting reaction was allowed to stir at room temperature for 1 hour, after which time 4-dimethylaminobenzylamine dihydrochloride (0.446 g, 2.00 mmol) was added to the reaction mixture, followed by triethylamine (0.67 mL, 4.8 mmol). The resulting reaction was allowed to stir for about 18 h, then the reaction mixture was diluted with brine (20 mL), transferred to a separatory funnel and the aqueous layer was extracted with dichloromethane. The organic layer was dried over sodium sulfate and concentrated in vacuo to provide a crude residue which was purified by flash column chromatography (silica gel 60, CH2Cl2/EtOAc=4:1 to 2:1) to afford 4-[3(4-Dimethylamino-benzyl)-ureido]-butyric acid benzyl ester (0.686 g, 93% yield). 1H NMR (300 MHz, CDCl3) δ (ppm) 7.31 (m, 5H), 7.09 (d, J=9.0 Hz, 2H), 6.63 (d, J=9.0 Hz, 2H), 5.20 (t, J=5.4 Hz, 1H), 5.09 (t, J=5.4 Hz, 1H), 5.05 (s, 2H), 4.14 (d, J=5.7 Hz, 2H), 3.09 (dt, J=6.6, 6.3 Hz, 2H), 2.86 (s, 6H), 2.32 (t, J=7.5 Hz, 2H), 1.73 (m, 2H). 13C NMR (75 MHz, CDCl3) δ (ppm) 173.3, 158.5, 149.8, 135.8, 128.5, 128.15, 128.09, 127.0, 112.6, 66.2, 43.9, 40.7, 39.5, 31.5, 25.4.

후처리

  1. customThe cooling bath was removed
  2. customthe resulting reaction
  3. customThe resulting reaction
  4. stirringto stir for about 18 h
  5. customtransferred to a separatory funnel
  6. extractionthe aqueous layer was extracted with dichloromethane
  7. dry with materialThe organic layer was dried over sodium sulfate
  8. concentrationconcentrated in vacuo
  9. customto provide a crude residue which
  10. customwas purified by flash column chromatography (silica gel 60, CH2Cl2/EtOAc=4:1 to 2:1)

출처 및 근거

ORD 기록
ord-612e39195ba44b3da472b1a8d735260c
출처 데이터셋
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08748463B2

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