홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Sodium hydride → 4-[5-(3-Ethoxycarbonyl-2-oxo-propoxymethyl)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]-3-oxo-butyric acid ethyl ester

HRID 1248
노트
인쇄 미리보기

반응식

HRID 1248 반응식
[H-].[Na+].[CH3:3][C:4]1([CH3:13])[O:8][CH:7]([CH2:9][OH:10])[CH:6]([CH2:11][OH:12])[O:5]1.Cl[CH2:15][C:16](=[O:23])[CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19]>O1CCCC1.S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:21]([O:20][C:18](=[O:19])[CH2:17][C:16](=[O:23])[CH2:15][O:10][CH2:9][CH:7]1[CH:6]([CH2:11][O:12][CH2:15][C:16](=[O:23])[CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[O:5][C:4]([CH3:13])([CH3:3])[O:8]1)[CH3:22]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 24758Sodium hydrideHCID 69484Ethyl 4-chloroacetoacetateHCID 318275[5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

생성물 1

HCID 867521794-[5-(3-Ethoxycarbonyl-2-oxo-propoxymethyl)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]-3-oxo-butyric acid ethyl ester수율 43.7%

시약·촉매·용매 2

HCID 94433
Tetrabutylammonium hydrogen sulfate
촉매
HCID 8028Tetrahydrofuran용매3회

실험 절차

To a suspension of sodium hydride (4.0 g, 60% dispersion in oil) in tetrahydrofuran (150 mL) under a nitrogen atmosphere was added a solution of 2,2-dimethyl-[1,3]dioxolane-4,5-dimethanol (VII, 4.05 g) in tetrahydrofuran (25 mL) over 2 min at room temperature, followed by solid tetrabutylammonium hydrogen sulfate (0.4 g). The resulting mixture was cooled in an ice bath and a solution of ethyl 4-chloroacetoacetate (VIII, 8.1 g) in tetrahydrofuran (25 mL) was added dropwise over a period of 15 min. The reaction mixture was warmed to room temperature over 1 h then refluxed for 6 h. On cooling to room temperature, the reaction mixture was quenched with 1N hydrochloric acid (20 mL) and volatile materials were removed under reduced pressure. The aqueous phase was extracted with ethyl acetate (3×30 mL). The combined organic fractions was washed with brine, dried (sodium sulfate), filtered and concentrated in vacuo. The residue was purified by flash chromatography on silica gel (grade 9385, Merck, 230-400 mesh, 60 Å) using a mixture of hexane and ethyl acetate (8:2, 7:3 and 6:4; 500 mL each) as eluent, thereby affording the title compound (IX 4.5 g) as an oil and the mono O-alkylated compound, 4-(2-chlorophenyl)-2-(5-hydroxymethyl-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy-methyl-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl ester (X, 1.95 g). Compound IX. IR (neat, cm-1): 1723, 1636; MS (CI): 436 (100%, [M+NH4 ]+). Compound X. IR (neat, cm-1): 3455, 1734;

후처리

  1. temperatureThe resulting mixture was cooled in an ice bath
  2. temperaturethen refluxed for 6 h
  3. temperatureOn cooling to room temperature
  4. customthe reaction mixture was quenched with 1N hydrochloric acid (20 mL) and volatile materials
  5. customwere removed under reduced pressure
  6. extractionThe aqueous phase was extracted with ethyl acetate (3×30 mL)
  7. washThe combined organic fractions was washed with brine
  8. dry with materialdried (sodium sulfate)
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo
  11. customThe residue was purified by flash chromatography on silica gel (grade 9385, Merck, 230-400 mesh, 60 Å)
  12. additiona mixture of hexane and ethyl acetate (8:2, 7:3 and 6:4; 500 mL each) as eluent

출처 및 근거

ORD 기록
ord-70ae7882edfe4b59882bded66d4f531c
출처 데이터셋
uspto-grants-1998_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05723618

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트