반응 #216284

ord-e55116d5341c48e188246557bcef5a81

반응 방정식

O=C(O)CO
hydroxyacetic acid
C(=NC1CCCCC1)=NC1CCCCC1
dicyclohexylcarbodiimide
CCOC(=O)[C@H](C)N.Cl
(L)-alanine ethyl ester hydrochloride
c1c[nH]cn1
imidazole
CCOC(=O)[C@H](C)NC(=O)CO
N-(hydroxyacetyl)alanine ethyl ester
수율 61.0%

반응 조건

상세 조건
See reaction.notes.procedure_details.

후처리

  1. 1
    기타initially at 0° C.
  2. 2
    온도heated at 65° C. for 2 hours
  3. 3
    여과the reaction mixture was filtered
  4. 4
    기타the solvent removed
  5. 5
    기타to give crude product
  6. 6
    기타An aliquot of the crude product was chromatographed on silica gel

실험 절차

One equivalent each of hydroxyacetic acid (10.0 g), dicyclohexylcarbodiimide, (L)-alanine ethyl ester hydrochloride and imidazole was stirred in 500 mL acetonitrile. The reaction mixture, initially at 0° C. was allowed to warm to room temperature overnight and then heated at 65° C. for 2 hours. After the addition of an equal volume of toluene, the reaction mixture was filtered and the solvent removed by rotovaping from the filtrate to give crude product. An aliquot of the crude product was chromatographed on silica gel to give N-(hydroxyacetyl)alanine ethyl ester (61% yield). 1H NMR (300 MHz, DMSO-d6 /TMS): δ1.19 (t , 3H, J=7.1 Hz), δ1.31 (d, 3H, J=7.2 Hz), δ3.83 (s, 2H), δ4.09 (d×q, 2H, J=1.2 and 7.1 Hz, irradiation in the methyl region eliminates the smaller coupling constant), δ4.32 (d×q, 1H, J=7.3 and 7.3), and δ 8.31 (br d, 1H, J=7.2 Hz). 13C NMR (75 MHz, CDCl3 /TMS): 13.59, 17.54, 47.31, 61.02, 61.48, and 172.17. [α]25D =-4.1°±0.4° (c=1.99, CHCl3). HRMS: calcd for C7H14NO4 (M+H)+, 176.0923; found, 176.0921.

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US05466801uspto-grants-1995_11