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Hydrochloric Acid → Methyl 3-hydroxyisoxazole-5-carboxylate

HRID 1920897
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HRID 1920897 반응식
[OH:1][NH:2][C:3](N)=[O:4].N12CCCCC1C=NCCC2.[CH3:17][O:18][C:19]([C:21]#[C:22]C(OC)=O)=[O:20].Cl>CO>[CH3:17][O:18][C:19]([C:21]1[O:1][NH:2][C:3](=[O:4])[CH:22]=1)=[O:20]
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참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 3657HydroxyureaHCID 12980Dimethyl acetylenedicarboxylateHCID 3141121,5-Diazabicyclo(5,4,0)undec-5-ene

생성물 1

HCID 2724585Methyl 3-hydroxyisoxazole-5-carboxylate수율 40.4%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

Prepared according to Synthesis 1985, 1100. To a stirred solution of N-hydroxyurea (3.80 g, 50 mmol) and 1,5-diazabicyclo[5.4.0]undec-5-ene (8.37 g, 55 mmol) in methanol (50 mL) with cooling (ice bath) was added dimethyl ethyne dicarboxylate (7.11 g, 50 mmol) dropwise over 20 min. A dark red colour appeared then dissipated with each drop added, until finally a deep orange/red clear solution had formed. After an additional 20 min the mixture was concentrated to give a red oil which was then acidified with cooling in an ice/water bath to pH 1 with HCl (conc.). The resulting yellow mixture was extracted with diethyl ether (3×40 mL) then the aqueous phase was saturated with brine and extracted with ether (2×50 mL). The combined organic layers were then washed with water and brine and then dried over sodium sulfate, filtered and evaporated to afford the title compound (2.89 g, 40%) as white crystals after recrystallisation from chloroform. MS: m/e=143.8 [M+H]+.

후처리

  1. customPrepared
  2. customaccording to Synthesis 1985, 1100
  3. additionadded
  4. customuntil finally a deep orange/red clear solution had formed
  5. concentrationAfter an additional 20 min the mixture was concentrated
  6. customto give a red oil which
  7. extractionThe resulting yellow mixture was extracted with diethyl ether (3×40 mL)
  8. extractionextracted with ether (2×50 mL)
  9. washThe combined organic layers were then washed with water and brine
  10. dry with materialdried over sodium sulfate
  11. filtrationfiltered
  12. customevaporated

출처 및 근거

ORD 기록
ord-65943fd8f2414bf2a1214e9692a1bad2
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08173652B2

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