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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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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1013518
[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
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 76777Dimethylphosphinic acid3×HCID 81531Diisopropylethylamine3×HCID 151348Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate3×HCID 516892Sodium BicarbonateHCID 57607813Tert-butyl 2-{[4-(hydroxymethyl)benzoyl]amino}-4-thien-2-ylphenylcarbamate

Produkt 1

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

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 142844-(Dimethylamino)pyridineKatalysator2×HCID 6228DimethylformamideLösungsmittel

Versuchsvorschrift

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).

Aufarbeitung

  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)

Quellen und Nachweise

ORD-Eintrag
ord-714f4c6fe4ec458d91415d556ccbcd1e
Quelldatensatz
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07981874B2

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