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

Acetic Acid → Tert-butyl 1-{2-[4-(methoxycarbonyl)phenyl]ethyl}-5-oxo-d-prolinate

HRID 1178557
노트
인쇄 미리보기

반응식

HRID 1178557 반응식
[NH2:1][C@@H:2]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:3][CH2:4][C:5](=[O:11])OC(C)(C)C.[C:19]([C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH:30]=O)=[CH:25][CH:24]=1)([O:21][CH3:22])=[O:20].C(O)(=O)C.[BH3-]C#N.[Na+]>CO.CCOC(C)=O>[CH3:22][O:21][C:19]([C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][N:1]2[C:5](=[O:11])[CH2:4][CH2:3][C@@H:2]2[C:12]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:13])=[CH:25][CH:24]=1)=[O:20]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 5003444Sodium cyanoborohydrideHCID 7019734Di-tert-butyl (R)-2-aminopentanedioateHCID 13844675Methyl 4-(2-oxoethyl)benzoate

생성물 1

HCID 69250876Tert-butyl 1-{2-[4-(methoxycarbonyl)phenyl]ethyl}-5-oxo-d-prolinate수율 75%

시약·촉매·용매 2

HCID 887
Methanol
용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of H-D-Glu(OtBu)-OtBu, commercially available from Bache (0.5 g, 2.23 mmol) in MeOH (15 mL) were added 4-carbomethoxyphenylacetaldehyde (obtained from methyl 4-formyl benzoate as described in Nair et al., 1989) (0.4 g, 2.23 mmol), acetic acid (0.15 mL, 2.67 mmol), and NaCNBH3 (3.3 mL, 1.0 M THF solution, 3.3 mmol). The resulting solution was stirred at RT for 3 h then was diluted with EtOAc (100 mL) and washed with water (50 mL), and brine (50 mL). The organic solution was dried over sodium sulfate and concentrated in vacuo. The crude oil was diluted with xylene and the solution refluxed for 5 h. This solution was concentrated under reduced pressure and purified by silica gel column chromatography using EtOAc/hexane as eluent to afford the title compound (0.75 g, 75%) as a white solid. Rj 0.45 (EtOAc/hexane 1/1); 1H NMR (CDCl3) δ 1.47 (s, 9H), 1.95-2.05 (m, 1H), 2.10-2.20 (m, 1H), 2.25-2.35 (m, 1H), 2.40-2.50 (m, 1H), 2.80-3.00 (m, 2H), 3.10-3.20 (m, 1H), 3.82 (dd, 1H), 3.91 (s, 3H), 3.90-4.01 (m, 1H), 7.25 (d, 2H), 7.96 (d, 2H).

후처리

  1. washwashed with water (50 mL), and brine (50 mL)
  2. dry with materialThe organic solution was dried over sodium sulfate
  3. concentrationconcentrated in vacuo
  4. additionThe crude oil was diluted with xylene
  5. temperaturethe solution refluxed for 5 h
  6. concentrationThis solution was concentrated under reduced pressure
  7. custompurified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-cf0abaa5498f49baa16edd46e0e63997
출처 데이터셋
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07276531B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트