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1,2-Dichloroethane → (R)-N-(2,3-Dihydroxypropoxy)-6-fluoro-7-(2-fluoro-4-iodophenylamino)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxamide

HRID 910148
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HRID 910148 반응식
[F:1][C:2]1[C:3](=[O:23])[N:4]2[C:8](=[C:9]([C:20](O)=[O:21])[C:10]=1[NH:11][C:12]1[CH:17]=[CH:16][C:15]([I:18])=[CH:14][C:13]=1[F:19])[CH2:7][CH2:6][CH2:5]2.CC1(C)[O:29][C@@H:28]([CH2:30][O:31][NH2:32])[CH2:27][O:26]1.C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.C1(C)C=CC(S(O)(=O)=O)=CC=1>C(Cl)Cl.C(N(CC)CC)C.O.CN(C=O)C>[OH:29][C@H:28]([CH2:27][OH:26])[CH2:30][O:31][NH:32][C:20]([C:9]1[C:10]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([I:18])=[CH:14][C:13]=2[F:19])=[C:2]([F:1])[C:3](=[O:23])[N:4]2[C:8]=1[CH2:7][CH2:6][CH2:5]2)=[O:21]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 5

HCID 111,2-DichloroethaneHCID 6101p-Toluenesulfonic acidHCID 757711-HydroxybenzotriazoleHCID 11298047(R)-O-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)hydroxylamineHCID 252657696-Fluoro-7-(2-fluoro-4-iodophenylamino)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid

생성물 1

HCID 42606202
(R)-N-(2,3-Dihydroxypropoxy)-6-fluoro-7-(2-fluoro-4-iodophenylamino)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxamide
수율 48.5%

시약·촉매·용매 4

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매HCID 8471Triethylamine용매2회

실험 절차

Example 1 (82 mg, 0.19 mmol), (R)-(2,2-dimethyl-1,3-dioxolan-4-yl)methoxyamine (see Bailey et al., J. Med. Chem., 34, 1991, 51-65; 56 mg, 0.38 mmol), and HOBt (28 mg, 0.21 mmol) were stirred in CH2Cl2 (4 mL) with DMF (0.5 mL) at r.t. EDC (47 mg, 0.25 mmol) and then triethylamine (40 μL, 0.29 mmol) were added, and the reaction stirred for 16 h. The solution was washed with 0.1N HCl and brine, dried (MgSO4), and concentrated in vacuo. The residue was stirred in MeOH (2.0 mL) and water (200 μL) with p-toluensulfonic acid (16 mg, 0.08 mmol) for 4 h. Triethylamine (50 μL) was added, and the solution was concentrated in vacuo. Purification by prep-HPLC gave 48 mg (48%) of the title compound as a white solid. 1H NMR (400 MHz, DMSO-d6): δ 11.50 (s, 1H), 8.04 (s, 1H), 7.57 (d, 1H, J=8.8 Hz), 7.40 (d, 1H, J=8.8 Hz), 6.79 (t, 1H, J=8.8 Hz), 4.00 (t, 2H, J=7.6 Hz), 3.77-3.84 (m, 1H), 3.63-3.68 (m, 2H), 3.28-3.36 (m, 2H), 3.17 (t, 2H, J=7.6 Hz), 2.01-2.09 (m, 2H). MS (ES) [m+H] calc'd for C18H18F2IN3O5, 522. found 522.

후처리

  1. washThe solution was washed with 0.1N HCl and brine
  2. dry with materialdried (MgSO4)
  3. concentrationconcentrated in vacuo
  4. stirringThe residue was stirred in MeOH (2.0 mL)
  5. concentrationthe solution was concentrated in vacuo
  6. customPurification

출처 및 근거

ORD 기록
ord-43e8ce61e0674440b491378c0caed473
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08022057B2

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