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

Triethylamine → 5-Allyl-1-(2-tert-butoxycarbonylamino-pent-4-enoyl)-pyrrolidine-2-carboxylic acid methyl ester

HRID 1824417
노트
인쇄 미리보기

반응식

HRID 1824417 반응식
Cl.[CH3:2][O:3][C:4]([CH:6]1[CH2:10][CH2:9][CH:8](OCC=C)[NH:7]1)=[O:5].C(N(CC)CC)C.[C:22]([O:26][C:27]([NH:29][CH:30]([CH2:34][CH:35]=[CH2:36])[C:31]([OH:33])=O)=[O:28])([CH3:25])([CH3:24])[CH3:23].[CH:37]1(N=C=NC2CCCCC2)[CH2:42]CCC[CH2:38]1>C(Cl)Cl.CN(C)C1C=CN=CC=1>[CH3:2][O:3][C:4]([CH:6]1[CH2:10][CH2:9][CH:8]([CH2:42][CH:37]=[CH2:38])[N:7]1[C:31](=[O:33])[CH:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH:35]=[CH2:36])=[O:5]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 51661192-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acidHCID 695844965-Allyloxy-pyrrolidine-2-carboxylic acid methyl ester hydrochloride

생성물 1

HCID 235714265-Allyl-1-(2-tert-butoxycarbonylamino-pent-4-enoyl)-pyrrolidine-2-carboxylic acid methyl ester수율 87%

시약·촉매·용매

2
HCID 142844-(Dimethylamino)pyridine촉매HCID 6344Dichloromethane용매

실험 절차

To a solution of 5-allyloxy-pyrrolidine-2-carboxylic acid methyl ester hydrochloride, 5, (17.82 g, 86.6 mmol) and triethylamine (36 mL, 260 mmol) in CH2Cl2 (500 mL), 2-tert-butoxycarbonylamino-pent-4-enoic acid (41.1 g, 191 mmol), 1,3-dicyclohexylcarbodiimide (46.4 g, 225 mmol), and 4-dimethylaminopyridine (21.1 g, 173 mmol) are added. Once consumption of the starting material is complete, the precipitate that forms is filtered from the reaction mixture. The CH2Cl2 is reduced in vacuo and residue which remains is diluted with ether (500 mL). A white precipitate forms which is collected by filtration. The solvent is then removed and the resulting residue dissolved in ethyl acetate (250 mL) then further diluted with hexanes (250 mL). A white precipitate again forms and is removed. The solution which remains is concentrate in vacuo and the residue purified over silica (hexanes/ethyl acetate 80:20) to afford 27.69 g (87% yield) of the desired product as a slightly yellow oil. 1H-NMR (300 MHz, CDCl3): δ 5.91–5.74 (m, 2H), 5.22–5.01 (m, 5H), 4.55–4.40 (m, 3H), 3.81–3.74 (m, 3H), 2.60–1.90 (m, 4H), 1.45 (s, 9H); 13C-NMR (75.5 MHz, CDCl3): δ 183.85, 172.92, 172.52, 171.69, 155.58, 135.05, 134.27, 133.45, 118.63, 117.43, 80.00, 60.00, 59.58, 58.47, 52.41, 52.41, 52.10, 51.20, 39.69, 38.09, 29.82, 28.54, 27.11; MS (ESI): m/e=367.21 (M+H).

후처리

  1. customOnce consumption of the starting material
  2. filtrationthe precipitate that forms is filtered from the reaction mixture
  3. additionremains is diluted with ether (500 mL)
  4. filtrationA white precipitate forms which is collected by filtration
  5. customThe solvent is then removed
  6. dissolutionthe resulting residue dissolved in ethyl acetate (250 mL)
  7. additionthen further diluted with hexanes (250 mL)
  8. customis removed
  9. concentrationThe solution which remains is concentrate in vacuo
  10. customthe residue purified over silica (hexanes/ethyl acetate 80:20)

출처 및 근거

ORD 기록
ord-bb346cd6f14747b9803dc4d3b4477b83
출처 데이터셋
uspto-grants-2006_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07041696B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트