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

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 53757316, 화합물

HRID 398791
노트
인쇄 미리보기

반응식

HRID 398791 반응식
[C:1]([O:5][C:6]([NH:8][C:9]([CH3:15])([CH3:14])[CH2:10][C:11]([OH:13])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].ON1C2C=CC=CC=2N=N1.CCN=C=NCCCN(C)C.[NH2:37][CH:38]1[C:44](=[O:45])[NH:43][C:42]2[CH:46]=[CH:47][C:48]3[C:53]([C:41]=2[CH2:40][CH2:39]1)=[CH:52][CH:51]=[CH:50][CH:49]=3>CN(C=O)C.C(OCC)C.O>[C:1]([O:5][C:6](=[O:7])[NH:8][C:9]([CH3:15])([CH3:14])[CH2:10][C:11](=[O:13])[NH:37][CH:38]1[C:44](=[O:45])[NH:43][C:42]2[CH:46]=[CH:47][C:48]3[C:53]([C:41]=2[CH2:40][CH2:39]1)=[CH:52][CH:51]=[CH:50][CH:49]=3)([CH3:2])([CH3:3])[CH3:4]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 103760463-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acidHCID 18968908HCID 18968908, 화합물

생성물 1

HCID 53757316HCID 53757316, 화합물수율 103.7%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 3283Diethyl Ether용매
HCID 6228Dimethylformamide용매

실험 절차

A solution of 3-tert-butyloxycarbonylamino-3-methylbutanoic acid (2.43 g, 11.2 mmol) and 1-hydroxybenzotriazole (1.52 g, 11.3 mmol) in DMF (30 ml) was placed under an atmosphere of nitrogen. EDAC (2.19 g, 11.4 mmol) was added and the reaction mixture was stirred for 10 minutes at room temperature. Unresolved 3-amino-4-oxo-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]- azepine (2.3 g, 10.2 mmol) was added and the reaction mixture was stirred overnight at room temperature. The reaction mixture was poured into water (200 ml) and the solution was extracted with dichloromethane (2×250 ml). The combined organic extracts were washed with 10% sodium bicarbonate (2×150 ml) and dried (MgSO4). The solvent was evaporated in vacuo to give a solid residue which was suspended in diethyl ether. Filtration and drying afforded 4.5 g of (1,1-dimethyl -2-(4-oxo-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-ylcarbamoyl)ethyl)carbamic acid tert-butyl ester.

후처리

  1. stirringthe reaction mixture was stirred overnight at room temperature
  2. extractionthe solution was extracted with dichloromethane (2×250 ml)
  3. washThe combined organic extracts were washed with 10% sodium bicarbonate (2×150 ml)
  4. dry with materialdried (MgSO4)
  5. customThe solvent was evaporated in vacuo
  6. customto give a solid residue which
  7. filtrationFiltration
  8. customdrying

출처 및 근거

ORD 기록
ord-d3eb8e64e2ec430e85c33afd98a4537a
출처 데이터셋
uspto-grants-1998_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05817654

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트