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Ammonia → HCID 178484230, 화합물

HRID 1917181
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HRID 1917181 반응식
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]2[N:10]([CH2:11][CH2:12][N:13]([CH3:22])[CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:9][CH2:8][S:7][C:6]=2[CH:23]=1.I.[S:25]1[CH:29]=[CH:28][CH:27]=[C:26]1[C:30](SC)=[NH:31].N>CCO.C(Cl)Cl.CO>[CH3:22][N:13]([CH2:12][CH2:11][N:10]1[CH2:9][CH2:8][S:7][C:6]2[CH:23]=[C:2]([NH:1][C:30]([C:26]3[S:25][CH:29]=[CH:28][CH:27]=3)=[NH:31])[CH:3]=[CH:4][C:5]1=2)[CH2:14][C:15]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 222AmmoniaHCID 59144141tert-Butyl 2-((2-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)(methyl)amino)acetateHCID 66704664Methyl thiophene-2-carbimidothioate hydroiodide

생성물 1

HCID 178484230HCID 178484230, 화합물수율 37.3%

시약·촉매·용매 3

HCID 702Ethanol용매
HCID 887
Methanol
용매
2회
HCID 6344Dichloromethane용매3회

실험 절차

To a solution of tert-butyl 2-((2-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)(methyl)amino)acetate (850 mg, 2.52 mmol) in EtOH (25 mL) was added methyl thiophene-2-carbimidothioate hydroiodide (1.43 g, 5.04 mmol). The resulting suspension was stirred at room temperature for 17 hours (overnight). At this time, the suspension was diluted with 20 mL CH2Cl2 to give a dark yellow solution. Argon was then bubbled through this solution for 30 minutes. The solution was transferred to a separatory funnel containing saturated sodium bicarbonate solution (50 mL) and CH2Cl2 (100 mL) then extracted. After extraction, the organic layer was separated, dried (Na2SO4), filtered, and concentrated to give a dark residue. This residue was subjected to flash chromatography on silica gel using 2:98 MeOH:CH2Cl2 followed by 2.5:97.5 (2M NH3 in MeOH):CH2Cl2 to give a yellow-green residue (420 mg, 37.3%). Some impure fractions were collected (˜340 mg). 1H-NMR (CDCl3) δ 7.43-7.35 (m, 2H), 7.06 (pseudo t, J=4.8 Hz, 1H), 7.71 (brd, J=8.1 Hz, 2H), 6.65 (dd, J=1.8, 8.4 Hz, 1H), 4.91 (brs, 2H), 3.66-3.58 (m, 2H), 3.43 (t, J=7.2 Hz, 2H), 3.21 (s, 2H), 3.07-2.99 (m, 2H), 2.74 (t, J=7.5 Hz, 2H), 2.45 (s, 3H), 1.47 (s, 9H); ESI-MS (m/z, %): 447 (MH+, 100), 391 (50); HPLC purity: 99.7% a/a.

후처리

  1. customto give a dark yellow solution
  2. customArgon was then bubbled through this solution for 30 minutes
  3. customThe solution was transferred to a separatory funnel
  4. additioncontaining saturated sodium bicarbonate solution (50 mL) and CH2Cl2 (100 mL)
  5. extractionthen extracted
  6. extractionAfter extraction
  7. customthe organic layer was separated
  8. dry with materialdried (Na2SO4)
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customto give a dark residue

출처 및 근거

ORD 기록
ord-d304bdbde1104b1c846deeb1626a38c7
출처 데이터셋
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08618286B2

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