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Acetic Acid → Methyl 4-[(2R)-2-({[(2S)-2-hydroxy-3-phenoxypropyl]amino}methyl)-3,4-dihydro-2H-chromen-6-yl]benzoate

HRID 47681
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Reaktionsgleichung

Reaktionsgleichung von HRID 47681
CS(C)=O.C(Cl)(=O)C(Cl)=O.O[CH2:12][C@H:13]1[CH2:22][CH2:21][C:20]2[C:15](=[CH:16][CH:17]=[C:18]([C:23]3[CH:32]=[CH:31][C:26]([C:27]([O:29][CH3:30])=[O:28])=[CH:25][CH:24]=3)[CH:19]=2)[O:14]1.C(N(CC)CC)C.[NH2:40][CH2:41][C@H:42]([OH:51])[CH2:43][O:44][C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl>[OH:51][C@H:42]([CH2:43][O:44][C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=1)[CH2:41][NH:40][CH2:12][C@H:13]1[CH2:22][CH2:21][C:20]2[C:15](=[CH:16][CH:17]=[C:18]([C:23]3[CH:32]=[CH:31][C:26]([C:27]([O:29][CH3:30])=[O:28])=[CH:25][CH:24]=3)[CH:19]=2)[O:14]1
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Komponenten

9

Edukt 7

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 1133101(2S)-(-)-1-Amino-3-phenoxy-2-propanolHCID 5049666Sodium triacetoxyborohydride
HCID 9900874
methyl 4-[(2R)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate

Produkt 1

HCID 59060773Methyl 4-[(2R)-2-({[(2S)-2-hydroxy-3-phenoxypropyl]amino}methyl)-3,4-dihydro-2H-chromen-6-yl]benzoateAusbeute 99 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel2×

Versuchsvorschrift

To a solution of anhydrous DMSO (0.839 mmol, 2.5 eq.) in CH2Cl2 (4 mL) at −78° C. was added oxalyl chloride (2M in CH2Cl2, 0.536 mmol, 1.6 eq.) dropwise by syringe. The resulting mixture was stirred at −78° C. for 10 minutes before a solution of methyl 4-[(2R)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate (Example 62, 0.335 mmol, 1.0 eq.) in CH2Cl2 (4 mL) was added very slowly by syringe. The resulting reaction mixture was stirred at −78° C. for 2 hours, at which time triethylamine (2.01 mmol, 6.0 eq.) was added. The cooling bath was removed and the reaction mixture was allowed to warm to room temperature (about 10 minutes). To the resulting crude aldehyde was added (2S)-1-amino-3-phenoxy-2-propanol (0.67 mmol, 2.0 eq.) in a single portion followed by acetic acid (6.03 mmol, 18.0 eq.). The resulting mixture was stirred for 5 minutes before sodium triacetoxyborohydride (1.005 mmol, 3.0 eq.) was added in a single portion. The reaction mixture was stirred at room temperature for 3 hours. The triacetoxyborohydride was quenched by the addition of 1N NaOH until the pH reached 9-10. The resulting two-phase mixture was extracted with CH2Cl2. The organic extracts were dried over sodium sulfate, concentrated and purified by medium pressure column chromatography (Biotage 40S normal phase silica gel column, CH2Cl2 to CH2Cl2:MeOH=100:3). The product was obtained as a pale yellow solid in 99% yield (two steps). MH+=448.3, retention time (LC-MS)=2.46 min.

Aufarbeitung

  1. additionwas added very slowly by syringe
  2. customThe resulting reaction mixture
  3. additionwas added
  4. customThe cooling bath was removed
  5. additionwas added in a single portion
  6. customThe triacetoxyborohydride was quenched by the addition of 1N NaOH until the pH
  7. extractionThe resulting two-phase mixture was extracted with CH2Cl2
  8. dry with materialThe organic extracts were dried over sodium sulfate
  9. concentrationconcentrated
  10. custompurified by medium pressure column chromatography (Biotage 40S normal phase silica gel column, CH2Cl2 to CH2Cl2:MeOH=100:3)
  11. customThe product was obtained as a pale yellow solid in 99% yield (two steps)

Quellen und Nachweise

ORD-Eintrag
ord-4eaff219851840008e30f4539c056cc9
Quelldatensatz
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06699860B2

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