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Dichloroisoproterenol → (4-{3-[2-(3,4-Dichloro-phenyl)-2-hydroxy-ethyl]-3-isopropyl-ureido}-benzyl)-carbamic acid tert-butyl ester

HRID 1057977
ノート
印刷プレビュー

反応式

HRID 1057977 の反応式
ClC(Cl)([O:4][C:5](=O)[O:6]C(Cl)(Cl)Cl)Cl.[NH2:13][C:14]1[CH:21]=[CH:20][C:17]([CH2:18][NH2:19])=[CH:16][CH:15]=1.[C:22]([NH:26][C:27](=[O:29])[O-])([CH3:25])([CH3:24])C.C(N([CH:36]([CH3:38])[CH3:37])CC)(C)C.C(N[CH2:43][CH:44]([C:46]1[CH:51]=[CH:50][C:49]([Cl:52])=[C:48]([Cl:53])[CH:47]=1)[OH:45])(C)C.[CH2:54](Cl)Cl>CCOC(C)=O>[C:36]([O:6][C:5](=[O:4])[NH:19][CH2:18][C:17]1[CH:20]=[CH:21][C:14]([NH:13][C:27]([N:26]([CH2:43][CH:44]([C:46]2[CH:51]=[CH:50][C:49]([Cl:52])=[C:48]([Cl:53])[CH:47]=2)[OH:45])[CH:22]([CH3:24])[CH3:25])=[O:29])=[CH:15][CH:16]=1)([CH3:38])([CH3:54])[CH3:37]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 6

HCID 5806DichloroisoproterenolHCID 6344Dichloromethane3 回HCID 81531Diisopropylethylamine2 回HCID 94429TriphosgeneHCID 4278144-AminobenzylamineHCID 21252905Tert-butylcarbamate

生成物 1

HCID 23560247
(4-{3-[2-(3,4-Dichloro-phenyl)-2-hydroxy-ethyl]-3-isopropyl-ureido}-benzyl)-carbamic acid tert-butyl ester

試薬・触媒・溶媒 1

HCID 8857Ethyl Acetate溶媒

実験手順

To a solution of 0.89 g (3 mmol) triphosgene in 10 ml CH2Cl2 was added a solution of 2.0 g (8 mmol) 4-aminobenzylamine, tertbutylcarbamate and 1.69 ml (9.7 mmol) diisopropylethylamine in 25 ml CH2Cl2 dropwise over 1 hour. After the addition was complete, a solution of 1.79 g (8 mmol) 2-isopropylamino-1-(3,4-dichlorophenyl)-ethanol and 1.69 ml (9.7 mmol) diisopropylethylamine in 25 ml CH2Cl2 was added over 5 min. The reaction mixture was stirred for 10 min. diluted with 200 ml EtOAc, washed with 200 ml each of saturated aqueous NaHCO3, water, and brine, then dried over Na2SO4 , filtered and concentrated. Purification by flash chromatography (50% EtOAc/hexanes) provided 4 g (4-{3-[2-(3,4-Dichloro-phenyl)-2-hydroxy-ethyl]-3-isopropyl-ureido}-benzyl)-carbamic acid tert-butyl ester. 1H NMR (300 mHz, CDCl3) 8.85 (br s, 1H); 7.45 (m, 2H); 7.3-7.0 (m, 5H); 5.82 (s, 1H); 5.12 (br s, 1H); 4.7 (d, 1H, J=8 Hz); 4.4-4.15 (m, 3H); 3.42 (dd, 1H, J=16 and 8 Hz); 3.1 (d, 1H, J=16 Hz); 1.4 (s, 9H); 1.9 (d, 3H, J=7 Hz); 1.07 (d, 3H, J=7 Hz).

後処理

  1. additionAfter the addition
  2. washwashed with 200 ml each of saturated aqueous NaHCO3, water, and brine
  3. dry with materialdried over Na2SO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customPurification by flash chromatography (50% EtOAc/hexanes)

出典と根拠

ORDレコード
ord-e1d3fd509dbc4835ae3bc74edbf4c248
出典データセット
uspto-grants-2003_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06515023B2

反応ノート

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