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Dimethylphosphinic acid → [4-({[2-({[(1,1-Dimethylethyl)oxy]carbonyl}amino)-5-(2-thienyl)phenyl]amino}carbonyl)phenyl]methyl dimethylphosphinate

HRID 1013518
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HRID 1013518 반응식
[OH:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([NH:11][C:12]2[CH:17]=[C:16]([C:18]3[S:19][CH:20]=[CH:21][CH:22]=3)[CH:15]=[CH:14][C:13]=2[NH:23][C:24](=[O:30])[O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:10])=[CH:5][CH:4]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.[CH3:58][P:59]([CH3:62])(=O)[OH:60].CCN(C(C)C)C(C)C.C([O-])(O)=O.[Na+]>CN(C1C=CN=CC=1)C.CN(C=O)C>[CH3:58][P:59]([CH3:62])(=[O:60])[O:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([NH:11][C:12]2[CH:17]=[C:16]([C:18]3[S:19][CH:20]=[CH:21][CH:22]=3)[CH:15]=[CH:14][C:13]=2[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:29])[CH3:28])=[O:30])=[O:10])=[CH:5][CH:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 76777Dimethylphosphinic acid3회HCID 81531Diisopropylethylamine3회HCID 151348Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate3회HCID 516892Sodium BicarbonateHCID 57607813Tert-butyl 2-{[4-(hydroxymethyl)benzoyl]amino}-4-thien-2-ylphenylcarbamate

생성물 1

HCID 57925914
[4-({[2-({[(1,1-Dimethylethyl)oxy]carbonyl}amino)-5-(2-thienyl)phenyl]amino}carbonyl)phenyl]methyl dimethylphosphinate

시약·촉매·용매 2

HCID 142844-(Dimethylamino)pyridine촉매2회HCID 6228Dimethylformamide용매

실험 절차

1,1-dimethylethyl [2-({[4-(hydroxymethyl)phenyl]carbonyl}amino)-4-(2-thienyl)phenyl]carbamate (650 mg, 1.531 mmol), BOP (1016 mg, 2.297 mmol), dimethylphosphinic acid (216 mg, 2.297 mmol), DMAP (10 mg, 0.082 mmol) and DIPEA (0.401 mL, 2.297 mmol) were stirred in DMF (8 mL) at room temperature overnight. Additional BOP (2370 mg, 5.36 mmol), DIPEA (0.936 mL, 5.36 mmol), dimethylphosphinic acid (504 mg, 5.36 mmol) and DMAP (20 mg, 0.164 mmol) were added and stirring continued for 24 hours. Additional BOP (1016 mg, 2.297 mmol), DIPEA (0.401 mL, 2.297 mmol) and dimethylphosphinic acid (216 mg, 2.297 mmol) were added and stirring continued for 6 hours. Saturated NaHCO3 was added and the products extracted into EtOAc (×2). The combined organic extracts were dried over MgSO4 and concentrated in vacuo. Purification of the residue by MPLC (0-20% MeOH-EtOAc) gave [4-({[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-5-(2-thienyl)phenyl]amino}carbonyl)phenyl]methyl dimethylphosphinate as a yellow gum. 1H-NMR (600 mHz, DMSO-d6) δ 9.90 (s, 1H), 8.72 (s, 1H), 7.96 (d, J=8.4 Hz, 2H), 7.90 (d, J=2.4 Hz, 1H), 7.58 (d, J=8.4 Hz, 1H), 7.53 (d, J=8.4 Hz, 2H), 7.49 (m, 2H), 7.43 (dd, J=3.6 and 1.2 Hz, 1H), 7.10 (dd, J=4.8 and 3.6 Hz, 1H), 5.02 (d, J=8.4 Hz, 2H), 1.46 (d, J=13.8 Hz, 6H), 1.42 (s, 9H). MS: cal'd 401 (MH+-Boc), exp 401 (MH+-Boc).

후처리

  1. stirringstirring
  2. waitcontinued for 6 hours
  3. extractionthe products extracted into EtOAc (×2)
  4. dry with materialThe combined organic extracts were dried over MgSO4
  5. concentrationconcentrated in vacuo
  6. customPurification of the residue by MPLC (0-20% MeOH-EtOAc)

출처 및 근거

ORD 기록
ord-714f4c6fe4ec458d91415d556ccbcd1e
출처 데이터셋
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07981874B2

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