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Hydrochloric Acid → (Z)-Mehtyl-3-(4-amino-3-methyl-5-nitrophenyl)-2-(benyloxycarbonyl)acrylate

HRID 1172368
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HRID 1172368 반응식
I[C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[C:5]([NH2:11])=[C:4]([CH3:12])[CH:3]=1.Cl.[CH2:14]([O:21][C:22]([C:24](=[CH2:29])[C:25]([O:27][CH3:28])=[O:26])=[O:23])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(N(CC)CC)C>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:28][O:27][C:25](=[O:26])/[C:24](/[C:22]([O:21][CH2:14][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)=[O:23])=[CH:29]/[C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[C:5]([NH2:11])=[C:4]([CH3:12])[CH:3]=1
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참가 물질

7

반응물 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 248996464-Iodo-2-methyl-6-nitroanilineHCID 66604662Methyl 2-(benzyloxycarbonyl)acrylate

생성물 1

HCID 131728430(Z)-Mehtyl-3-(4-amino-3-methyl-5-nitrophenyl)-2-(benyloxycarbonyl)acrylate수율 71%

시약·촉매·용매 2

HCID 70681
Tetrabutylammonium Chloride
촉매
HCID 167845palladium(II) acetate촉매

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온도
70 °C

실험 절차

4-iodo-2-methyl-6-nitrobenzenamine.HCl (6.28 g, 20 mmol) and tetrabutylammonium chloride (6.67g, 24 mmol)was dissolved in DMF(30-40 mL) which was degassed for 10 min, followed by the addition of methyl 2-(benzyloxycarbonyl)acrylate (5.65 g, 24 mmol ) and Pd(OAc)2 (0.674 g, 3 mmol), and triethylamine (8.0 mL, 57 mmol) under N2. The mixture was heated at 70° C. for 2.5 hours (the reaction was monitored by LC-MS and TLC, ethyl acetate/hexanes=1:1, Rf=0.24). All volatiles were removed, and the residue was dissolved in CHCl3, which was washed with brine twice, and the organic layer was dried over MgSO4. After filtration, solvents were removed in vacuo and the residue was subjected to flash chromatography using EtOAc/hexanes (1:4, 1:2, 1:1) as eluent to give the title compound as an orange solid 6.87g (71%, yield). All of these solids were refluxed in ethyl acetate (125 mL) and the resulting dark brown solution was filtered. The filtrate was cooled down to r.t. and stored in refrigerator (4° C.) for 2 hrs, then filtered to afford the title compound in a very pure form as an orange solid (5.26 g, recovery yield 62%). 1HNMR (CDCl3, 500 MHz) δ 8.23 (s, 1H), 7.47 (s, 1H), 7.33 (br s, 5H), 7.28 (s, 1H), 6.36 (v br s, 3H), 5.12 (s, 2H), 3.82 (s, 3H), 2.14 (s, 3H); Mass Spec. 386.14 (MH+), Calc. for C19H19N3O6 385.13.

후처리

  1. customwas degassed for 10 min
  2. customAll volatiles were removed
  3. dissolutionthe residue was dissolved in CHCl3
  4. washwhich was washed with brine twice
  5. dry with materialthe organic layer was dried over MgSO4
  6. filtrationAfter filtration, solvents
  7. customwere removed in vacuo

출처 및 근거

ORD 기록
ord-4e0a3add36484a0f9ac6af18e5f5b9f6
출처 데이터셋
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07834007B2

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