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1,2-Dichloroethane → (S)-ethyl 5-amino-6-(4-((1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl)carbamoyl)-3-fluorophenyl)pyrazine-2-carboxylate

HRID 596126
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HRID 596126 반응식
[NH2:1][C:2]1[C:3]([C:13]2[CH:21]=[CH:20][C:16]([C:17]([OH:19])=O)=[C:15]([F:22])[CH:14]=2)=[N:4][C:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][N:7]=1.[NH2:23][C@@H:24]([C:27]1[CH:32]=[C:31]([F:33])[CH:30]=[C:29]([Br:34])[CH:28]=1)[CH2:25][OH:26].C1C=NC2N(O)N=NC=2C=1.C(Cl)CCl.CCN(C(C)C)C(C)C>CN(C=O)C.CCOC(C)=O>[NH2:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[N:4][C:3]=1[C:13]1[CH:21]=[CH:20][C:16]([C:17](=[O:19])[NH:23][C@@H:24]([C:27]2[CH:32]=[C:31]([F:33])[CH:30]=[C:29]([Br:34])[CH:28]=2)[CH2:25][OH:26])=[C:15]([F:22])[CH:14]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 111,2-DichloroethaneHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 66514746(S)-2-Amino-2-(3-bromo-5-fluorophenyl)ethan-1-OLHCID 1180454784-(3-Amino-6-(ethoxycarbonyl)pyrazin-2-yl)-2-fluorobenzoic acid

생성물 1

HCID 118054716
(S)-ethyl 5-amino-6-(4-((1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl)carbamoyl)-3-fluorophenyl)pyrazine-2-carboxylate
수율 84%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매

실험 절차

To a mixture of 4-(3-amino-6-(ethoxycarbonyl)pyrazin-2-yl)-2-fluorobenzoic acid (0.214 g, 0.7 mmol), (S)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol (272 mg, 1.009 mmol),HOAt (187 mg, 1.376 mmol) and EDC (264 mg, 1.376 mmol) in DMF (2.5 mL) was added DIEA (0.961 mL, 5.50 mmol). The resultant mixture was stirred over night at RT. The mixture was diluted with EtOAc, washed with water three times and brine, dried, concentrated to afford the crude product as a light yellow viscous liquid. ISCO purification (12 g silica, 10 to 90% EtOAc in heptane, 30 min) provided the desired product (200 mg, 84% yield) as a light yellow liquid. LC-MS (m/z): 522.9 (MH+), 0.787 min.

후처리

  1. washwashed with water three times and brine
  2. customdried
  3. concentrationconcentrated
  4. customto afford the crude product as a light yellow viscous liquid
  5. customISCO purification (12 g silica, 10 to 90% EtOAc in heptane, 30 min)

출처 및 근거

ORD 기록
ord-854a6210acb24d218e83fda098d149fe
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09242996B2

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