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Propylphosphonic anhydride → 3-(3-Bromophenethoxy)-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide

HRID 909871
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HRID 909871 반응식
[Br:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][CH:15]=1)[CH2:5][CH2:6][O:7][CH2:8][CH2:9][C:10]([OH:12])=O.[CH3:16][O:17][CH:18]([O:27][CH3:28])[CH2:19][NH:20][CH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1.C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC.C(=O)([O-])O.[Na+]>C(#N)C>[Br:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][CH:15]=1)[CH2:5][CH2:6][O:7][CH2:8][CH2:9][C:10]([N:20]([CH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)[CH2:19][CH:18]([O:27][CH3:28])[O:17][CH3:16])=[O:12]
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참가 물질

6

반응물 4

HCID 111923Propylphosphonic anhydrideHCID 516892Sodium BicarbonateHCID 3024915N-(2,2-dimethoxyethyl)cyclohexanamineHCID 592903713-(3-Bromophenethoxy)propanoic acid

생성물 1

HCID 592904803-(3-Bromophenethoxy)-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide수율 84.3%

시약·촉매·용매 1

HCID 6342
Acetonitrile
용매

실험 절차

To a stirred solution of 3-(3-bromophenethoxy)propanoic acid (3.3 g, prepared as in Preparation 3, Step ii), Procedure B) in acetonitrile (60 mL) was added TEA (20.21 mL) and N-(2,2-dimethoxyethyl)cyclohexanamine (2.26 g). T3P (1.56M in THF, 15.39 mL) was then added portionwise. The reaction was stirred overnight, and then worked up by the addition of saturated sodium hydrogen carbonate, which was extracted twice with ethyl acetate. The pooled organics were washed once with water, once with brine, dried over sodium sulphate, filtered and the solvent removed to afford a brown oil, which was purified on silica (5% Ethyl acetate/isohexane to 20% Ethyl acetate/isohexane). The solvent was evaporated to afford an orange oil (4.5 g). MS [M+H-MeOH]+=410/412 (MultiMode+) 1H NMR (400 MHz, CD3OD) δ 7.40-7.35 (m, 1H), 7.33-7.29 (m, 1H), 7.20-7.12 (m, 2H), 4.54 (t, J=5.0 Hz, 0.5H), 4.39 (t, J=5.4 Hz, 0.5H), 4.08-3.98 (m, 1H), 3.73-3.59 (m, 4H), 3.39-3.36 (m, 2H), 3.37 (s, 3H), 3.34 (s, 3H), 2.83-2.78 (m, 2H), 2.67-2.61 (m, 2H), 1.82-1.74 (m, 2H), 1.70-1.55 (m, 3H), 1.55-1.42 (m, 2H), 1.38-1.26 (m, 2H), 1.19-1.04 (m, 1H), a ˜1:1 mixture of rotamers is observed.

후처리

  1. extractionwas extracted twice with ethyl acetate
  2. washThe pooled organics were washed once with water, once with brine
  3. dry with materialdried over sodium sulphate
  4. filtrationfiltered
  5. customthe solvent removed
  6. customto afford a brown oil, which
  7. customwas purified on silica (5% Ethyl acetate/isohexane to 20% Ethyl acetate/isohexane)
  8. customThe solvent was evaporated

출처 및 근거

ORD 기록
ord-15696f7c5ab34a9eb7052976e4168a49
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08017602B2

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