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Tetrahydrofuran → 4-(Dimethylphosphoryl)benzyl(4-{[(4-aminobiphenyl-3-yl)amino]carbonyl}benzyl) carbamate

HRID 1013532
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HRID 1013532 반응식
C1N=CN([C:6](N2C=NC=C2)=[O:7])C=1.[CH3:13][P:14]([C:17]1[CH:22]=[CH:21][C:20]([CH2:23]O)=[CH:19][CH:18]=1)([CH3:16])=[O:15].NC[C:27]1[CH:32]=[CH:31][C:30]([C:33]([NH:35][C:36]2[CH:37]=[C:38]([C:50]3[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=3)[CH:39]=[CH:40][C:41]=2[NH:42]C(=O)OC(C)(C)C)=[O:34])=[CH:29][CH:28]=1.CC[N:58]([CH2:61]C)CC.C1CCN2C(=NCCC2)CC1.C1C[O:77]CC1>CS(C)=O>[C:61](=[O:77])([O:7][CH:6]([CH2:23][C:20]1[CH:19]=[CH:18][C:17]([P:14]([CH3:13])([CH3:16])=[O:15])=[CH:22][CH:21]=1)[C:27]1[CH:32]=[CH:31][C:30]([C:33]([NH:35][C:36]2[CH:37]=[C:38]([C:50]3[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=3)[CH:39]=[CH:40][C:41]=2[NH2:42])=[O:34])=[CH:29][CH:28]=1)[NH2:58]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 8028Tetrahydrofuran3회HCID 8471TriethylamineHCID 682631,1'-CarbonyldiimidazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 57925864N-[3-[[4-(Aminomethyl)benzoyl]amino][1,1'-biphenyl]-4-yl]carbamic Acid tert-Butyl EsterHCID 591314474-(Dimethylphosphinyl)benzenemethanol

생성물 1

HCID 673167454-(Dimethylphosphoryl)benzyl(4-{[(4-aminobiphenyl-3-yl)amino]carbonyl}benzyl) carbamate

시약·촉매·용매 1

HCID 679Dimethyl Sulfoxide용매

실험 절차

A solution of CDI (117 mg, 0.722 mmol) in dry THF (5 mL) was treated with a solution of [4-(dimethylphosphoryl)phenyl]methanol (133 mg, 0.722 mmol) in DMSO (2 mL) and THF (1 mL) dropwise. The resulting solution was stirred for 1 h and then added dropwise over 5 min. to a solution of 1,1-dimethylethyl [3-({[4-(aminomethyl)phenyl]carbonyl}amino) biphenyl-4-yl]carbamate (301 mg, 0.722 mmol), Et3N (101 μL, 0.722 mmol) and DBU (109 μL, 0.722 mmol) in dry THF (5 mL). The reaction mixture was stirred at RT overnight. The reaction mixture was concentrated in vacuo, diluted with EtOAc, washed with H2O, 0.5 N HCl, dried (MgSO4), filtered and the solvent was evaporated under reduced pressure. The residue was purified by column chromatography on silica gel, eluting with CHCl3/MeOH (2.5% to 20%) to give a glassy yellow solid. 1H NMR (CDCl3, 600 MHz) δ 9.28 (br s, 1H), 8.02 (s, 1H), 7.90 (d, J=8.0 Hz, 2H), 7.75-7.67 (m, 2H), 7.59 (d, J=8.0 Hz, 2H), 7.50-7.46 (m, 2H), 7.42-7.35 (m, 4H), 7.34-7.29 (m, 1H), 7.27 (d, J=8.0 Hz, 2H), 6.98 (s, 1H), 5.49 (br s, 1H), 5.18 (s, 2H), 4.41 (d, J=6.0 Hz, 2H), 1.71 (dd. J=12.9, 3.8 Hz, 6H). MS: cal'd 628 (MH+), exp 628 (MH+).

후처리

  1. stirringThe reaction mixture was stirred at RT overnight
  2. concentrationThe reaction mixture was concentrated in vacuo
  3. additiondiluted with EtOAc
  4. washwashed with H2O, 0.5 N HCl
  5. dry with materialdried (MgSO4)
  6. filtrationfiltered
  7. customthe solvent was evaporated under reduced pressure
  8. customThe residue was purified by column chromatography on silica gel
  9. washeluting with CHCl3/MeOH (2.5% to 20%)
  10. customto give a glassy yellow solid

출처 및 근거

ORD 기록
ord-3dfd0b1e5d3c4f48ad498d844bdce0f0
출처 데이터셋
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07981874B2

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